BibTeX records: Peter V. Coveney

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@article{DBLP:journals/cphysics/ZacharoudiouMC23,
  author       = {I. Zacharoudiou and
                  J. W. S. McCullough and
                  Peter V. Coveney},
  title        = {Development and performance of a HemeLB {GPU} code for human-scale
                  blood flow simulation},
  journal      = {Comput. Phys. Commun.},
  volume       = {282},
  pages        = {108548},
  year         = {2023},
  url          = {https://doi.org/10.1016/j.cpc.2022.108548},
  doi          = {10.1016/J.CPC.2022.108548},
  timestamp    = {Sat, 13 May 2023 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/cphysics/ZacharoudiouMC23.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/cphysics/GroenASERXBMC23,
  author       = {Derek Groen and
                  Hamid Arabnejad and
                  Diana Suleimenova and
                  Wouter Edeling and
                  Erwan Raffin and
                  Yani Xue and
                  Kevin Bronik and
                  Nicolas Monnier and
                  Peter V. Coveney},
  title        = {FabSim3: An automation toolkit for verified simulations using high
                  performance computing},
  journal      = {Comput. Phys. Commun.},
  volume       = {283},
  pages        = {108596},
  year         = {2023},
  url          = {https://doi.org/10.1016/j.cpc.2022.108596},
  doi          = {10.1016/J.CPC.2022.108596},
  timestamp    = {Tue, 21 Mar 2023 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/cphysics/GroenASERXBMC23.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/BieniekWBWC23,
  author       = {Mateusz K. Bieniek and
                  Alexander D. Wade and
                  Agastya P. Bhati and
                  Shunzhou Wan and
                  Peter V. Coveney},
  title        = {{TIES} 2.0: {A} Dual-Topology Open Source Relative Binding Free Energy
                  Builder with Web Portal},
  journal      = {J. Chem. Inf. Model.},
  volume       = {63},
  number       = {3},
  pages        = {718--724},
  year         = {2023},
  url          = {https://doi.org/10.1021/acs.jcim.2c01596},
  doi          = {10.1021/ACS.JCIM.2C01596},
  timestamp    = {Sat, 30 Sep 2023 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcisd/BieniekWBWC23.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/WanBWC23,
  author       = {Shunzhou Wan and
                  Agastya P. Bhati and
                  Alexander D. Wade and
                  Peter V. Coveney},
  title        = {Ensemble-Based Approaches Ensure Reliability and Reproducibility},
  journal      = {J. Chem. Inf. Model.},
  volume       = {63},
  number       = {22},
  pages        = {6959--6963},
  year         = {2023},
  url          = {https://doi.org/10.1021/acs.jcim.3c01654},
  doi          = {10.1021/ACS.JCIM.3C01654},
  timestamp    = {Sun, 31 Dec 2023 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/jcisd/WanBWC23.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/WanBWWGGC22,
  author       = {Shunzhou Wan and
                  Agastya P. Bhati and
                  David W. Wright and
                  Ian D. Wall and
                  Alan P. Graves and
                  Darren V. S. Green and
                  Peter V. Coveney},
  title        = {Ensemble Simulations and Experimental Free Energy Distributions: Evaluation
                  and Characterization of Isoxazole Amides as {SMYD3} Inhibitors},
  journal      = {J. Chem. Inf. Model.},
  volume       = {62},
  number       = {10},
  pages        = {2561--2570},
  year         = {2022},
  url          = {https://doi.org/10.1021/acs.jcim.2c00255},
  doi          = {10.1021/ACS.JCIM.2C00255},
  timestamp    = {Sat, 30 Sep 2023 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcisd/WanBWWGGC22.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/tjs/MorilloVCG22,
  author       = {Julian Morillo and
                  Maxime Vassaux and
                  Peter V. Coveney and
                  Marta Garcia{-}Gasulla},
  title        = {Hybrid parallelization of molecular dynamics simulations to reduce
                  load imbalance},
  journal      = {J. Supercomput.},
  volume       = {78},
  number       = {7},
  pages        = {9184--9215},
  year         = {2022},
  url          = {https://doi.org/10.1007/s11227-021-04214-4},
  doi          = {10.1007/S11227-021-04214-4},
  timestamp    = {Tue, 21 Mar 2023 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/tjs/MorilloVCG22.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/iccS/BronikRVEC22,
  author       = {Kevin Bronik and
                  Werner Muller Roa and
                  Maxime Vassaux and
                  Wouter Edeling and
                  Peter V. Coveney},
  editor       = {Derek Groen and
                  Cl{\'{e}}lia de Mulatier and
                  Maciej Paszynski and
                  Valeria V. Krzhizhanovskaya and
                  Jack J. Dongarra and
                  Peter M. A. Sloot},
  title        = {Automated Variance-Based Sensitivity Analysis of a Heterogeneous Atomistic-Continuum
                  System},
  booktitle    = {Computational Science - {ICCS} 2022 - 22nd International Conference,
                  London, UK, June 21-23, 2022, Proceedings, Part {IV}},
  series       = {Lecture Notes in Computer Science},
  volume       = {13353},
  pages        = {762--766},
  publisher    = {Springer},
  year         = {2022},
  url          = {https://doi.org/10.1007/978-3-031-08760-8\_62},
  doi          = {10.1007/978-3-031-08760-8\_62},
  timestamp    = {Tue, 21 Mar 2023 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/conf/iccS/BronikRVEC22.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/corr/abs-2202-11770,
  author       = {I. Zacharoudiou and
                  J. W. S. McCullough and
                  Peter V. Coveney},
  title        = {Development and performance of a HemeLB {GPU} code for human-scale
                  blood flow simulation},
  journal      = {CoRR},
  volume       = {abs/2202.11770},
  year         = {2022},
  url          = {https://arxiv.org/abs/2202.11770},
  eprinttype    = {arXiv},
  eprint       = {2202.11770},
  timestamp    = {Mon, 05 Sep 2022 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/corr/abs-2202-11770.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jocs/SuleimenovaAECL21,
  author       = {Diana Suleimenova and
                  Hamid Arabnejad and
                  Wouter Edeling and
                  David Coster and
                  Onnie O. Luk and
                  Jalal Lakhlili and
                  Vytautas Jancauskas and
                  Michal Kulczewski and
                  Lourens E. Veen and
                  Dongwei Ye and
                  Pavel Zun and
                  Valeria V. Krzhizhanovskaya and
                  Alfons G. Hoekstra and
                  Daan Crommelin and
                  Peter V. Coveney and
                  Derek Groen},
  title        = {Tutorial applications for Verification, Validation and Uncertainty
                  Quantification using {VECMA} toolkit},
  journal      = {J. Comput. Sci.},
  volume       = {53},
  pages        = {101402},
  year         = {2021},
  url          = {https://doi.org/10.1016/j.jocs.2021.101402},
  doi          = {10.1016/J.JOCS.2021.101402},
  timestamp    = {Sun, 02 Oct 2022 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jocs/SuleimenovaAECL21.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/icpp/SaadiABBBBBCCCC21,
  author       = {Aymen Al Saadi and
                  Dario Alf{\`{e}} and
                  Yadu N. Babuji and
                  Agastya Bhati and
                  Ben Blaiszik and
                  Alexander Brace and
                  Thomas S. Brettin and
                  Kyle Chard and
                  Ryan Chard and
                  Austin Clyde and
                  Peter V. Coveney and
                  Ian T. Foster and
                  Tom Gibbs and
                  Shantenu Jha and
                  Kristopher Keipert and
                  Dieter Kranzlm{\"{u}}ller and
                  Thorsten Kurth and
                  Hyungro Lee and
                  Zhuozhao Li and
                  Heng Ma and
                  Gerald Mathias and
                  Andr{\'{e}} Merzky and
                  Alexander Partin and
                  Arvind Ramanathan and
                  Ashka Shah and
                  Abraham C. Stern and
                  Rick Stevens and
                  Li Tan and
                  Mikhail Titov and
                  Anda Trifan and
                  Aristeidis Tsaris and
                  Matteo Turilli and
                  Huub J. J. Van Dam and
                  Shunzhou Wan and
                  David Wifling and
                  Junqi Yin},
  editor       = {Xian{-}He Sun and
                  Sameer Shende and
                  Laxmikant V. Kal{\'{e}} and
                  Yong Chen},
  title        = {{IMPECCABLE:} Integrated Modeling PipelinE for {COVID} Cure by Assessing
                  Better LEads},
  booktitle    = {{ICPP} 2021: 50th International Conference on Parallel Processing,
                  Lemont, IL, USA, August 9 - 12, 2021},
  pages        = {40:1--40:12},
  publisher    = {{ACM}},
  year         = {2021},
  url          = {https://doi.org/10.1145/3472456.3473524},
  doi          = {10.1145/3472456.3473524},
  timestamp    = {Mon, 05 Feb 2024 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/conf/icpp/SaadiABBBBBCCCC21.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/pasc/LeeMTTTABBCCMRS21,
  author       = {Hyungro Lee and
                  Andr{\'{e}} Merzky and
                  Li Tan and
                  Mikhail Titov and
                  Matteo Turilli and
                  Dario Alf{\`{e}} and
                  Agastya Bhati and
                  Alex Brace and
                  Austin Clyde and
                  Peter V. Coveney and
                  Heng Ma and
                  Arvind Ramanathan and
                  Rick Stevens and
                  Anda Trifan and
                  Hubertus Van Dam and
                  Shunzhou Wan and
                  Sean R. Wilkinson and
                  Shantenu Jha},
  editor       = {Timothy Robinson},
  title        = {Scalable {HPC} {\&} {AI} infrastructure for {COVID-19} therapeutics},
  booktitle    = {{PASC} '21: Platform for Advanced Scientific Computing Conference,
                  Geneva, Switzerland, July 5-9, 2021},
  pages        = {2:1--2:13},
  publisher    = {{ACM}},
  year         = {2021},
  url          = {https://doi.org/10.1145/3468267.3470573},
  doi          = {10.1145/3468267.3470573},
  timestamp    = {Mon, 05 Feb 2024 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/conf/pasc/LeeMTTTABBCCMRS21.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/corr/abs-2103-02843,
  author       = {Agastya P. Bhati and
                  Shunzhou Wan and
                  Dario Alf{\`{e}} and
                  Austin R. Clyde and
                  Mathis Bode and
                  Li Tan and
                  Mikhail Titov and
                  Andr{\'{e}} Merzky and
                  Matteo Turilli and
                  Shantenu Jha and
                  Roger R. Highfield and
                  Walter Rocchia and
                  Nicola Scafuri and
                  Sauro Succi and
                  Dieter Kranzlm{\"{u}}ller and
                  Gerald Mathias and
                  David Wifling and
                  Yann Donon and
                  Alberto Di Meglio and
                  Sofia Vallecorsa and
                  Heng Ma and
                  Anda Trifan and
                  Arvind Ramanathan and
                  Tom Brettin and
                  Alexander Partin and
                  Fangfang Xia and
                  Xiaotan Duan and
                  Rick Stevens and
                  Peter V. Coveney},
  title        = {Pandemic Drugs at Pandemic Speed: Accelerating {COVID-19} Drug Discovery
                  with Hybrid Machine Learning- and Physics-based Simulations on High
                  Performance Computers},
  journal      = {CoRR},
  volume       = {abs/2103.02843},
  year         = {2021},
  url          = {https://arxiv.org/abs/2103.02843},
  eprinttype    = {arXiv},
  eprint       = {2103.02843},
  timestamp    = {Mon, 15 Mar 2021 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/corr/abs-2103-02843.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/cars/EsfahaniZCABADY20,
  author       = {Sahar Soheilian Esfahani and
                  Xiaojun Zhai and
                  Minsi Chen and
                  Abbes Amira and
                  Faycal Bensaali and
                  Julien Abinahed and
                  Sarada Dakua and
                  Georges Younes and
                  Abdulla Baobeid and
                  Robin A. Richardson and
                  Peter V. Coveney},
  title        = {Lattice-Boltzmann interactive blood flow simulation pipeline},
  journal      = {Int. J. Comput. Assist. Radiol. Surg.},
  volume       = {15},
  number       = {4},
  pages        = {629--639},
  year         = {2020},
  url          = {https://doi.org/10.1007/s11548-020-02120-3},
  doi          = {10.1007/S11548-020-02120-3},
  timestamp    = {Sat, 09 Apr 2022 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/cars/EsfahaniZCABADY20.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jocs/CoveneyH20,
  author       = {Peter V. Coveney and
                  Roger R. Highfield},
  title        = {From digital hype to analogue reality: Universal simulation beyond
                  the quantum and exascale eras},
  journal      = {J. Comput. Sci.},
  volume       = {46},
  pages        = {101093},
  year         = {2020},
  url          = {https://doi.org/10.1016/j.jocs.2020.101093},
  doi          = {10.1016/J.JOCS.2020.101093},
  timestamp    = {Tue, 01 Jun 2021 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jocs/CoveneyH20.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/sj/ZhaiCEABADRC20,
  author       = {Xiaojun Zhai and
                  Minsi Chen and
                  Sahar Soheilian Esfahani and
                  Abbes Amira and
                  Faycal Bensaali and
                  Julien Abinahed and
                  Sarada Dakua and
                  Robin A. Richardson and
                  Peter V. Coveney},
  title        = {Heterogeneous System-on-Chip-Based Lattice-Boltzmann Visual Simulation
                  System},
  journal      = {{IEEE} Syst. J.},
  volume       = {14},
  number       = {2},
  pages        = {1592--1601},
  year         = {2020},
  url          = {https://doi.org/10.1109/JSYST.2019.2952459},
  doi          = {10.1109/JSYST.2019.2952459},
  timestamp    = {Thu, 27 Jul 2023 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/sj/ZhaiCEABADRC20.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/corr/abs-2007-03741,
  author       = {Peter V. Coveney and
                  Roger R. Highfield},
  title        = {When we can trust computers (and when we can't)},
  journal      = {CoRR},
  volume       = {abs/2007.03741},
  year         = {2020},
  url          = {https://arxiv.org/abs/2007.03741},
  eprinttype    = {arXiv},
  eprint       = {2007.03741},
  timestamp    = {Sat, 23 Jan 2021 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/corr/abs-2007-03741.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/corr/abs-2010-03923,
  author       = {Derek Groen and
                  Hamid Arabnejad and
                  Vytautas Jancauskas and
                  Wouter Edeling and
                  Fredrik Jansson and
                  Robin A. Richardson and
                  Jalal Lakhlili and
                  Linda van Veen and
                  Bartosz Bosak and
                  Piotr Kopta and
                  D. W. Wright and
                  Nicolas Monnier and
                  Paul Karlshoefer and
                  Diana Suleimenova and
                  Robert Sinclair and
                  Maxime Vassaux and
                  Anna Nikishova and
                  Mariusz Bieniek and
                  Onnie O. Luk and
                  Michal Kulczewski and
                  Erwan Raffin and
                  Daan Crommelin and
                  Olivier Hoenen and
                  David P. Coster and
                  Tomasz Piontek and
                  Peter V. Coveney},
  title        = {VECMAtk: {A} Scalable Verification, Validation and Uncertainty Quantification
                  Toolkit for Scientific Simulations},
  journal      = {CoRR},
  volume       = {abs/2010.03923},
  year         = {2020},
  url          = {https://arxiv.org/abs/2010.03923},
  eprinttype    = {arXiv},
  eprint       = {2010.03923},
  timestamp    = {Mon, 07 Nov 2022 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/corr/abs-2010-03923.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/corr/abs-2010-06574,
  author       = {Aymen Al Saadi and
                  Dario Alf{\`{e}} and
                  Yadu N. Babuji and
                  Agastya Bhati and
                  Ben Blaiszik and
                  Thomas S. Brettin and
                  Kyle Chard and
                  Ryan Chard and
                  Peter V. Coveney and
                  Anda Trifan and
                  Alex Brace and
                  Austin Clyde and
                  Ian T. Foster and
                  Tom Gibbs and
                  Shantenu Jha and
                  Kristopher Keipert and
                  Thorsten Kurth and
                  Dieter Kranzlm{\"{u}}ller and
                  Hyungro Lee and
                  Zhuozhao Li and
                  Heng Ma and
                  Andr{\'{e}} Merzky and
                  Gerald Mathias and
                  Alexander Partin and
                  Junqi Yin and
                  Arvind Ramanathan and
                  Ashka Shah and
                  Abraham C. Stern and
                  Rick Stevens and
                  Li Tan and
                  Mikhail Titov and
                  Aristeidis Tsaris and
                  Matteo Turilli and
                  Huub J. J. Van Dam and
                  Shunzhou Wan and
                  David Wifling},
  title        = {{IMPECCABLE:} Integrated Modeling PipelinE for {COVID} Cure by Assessing
                  Better LEads},
  journal      = {CoRR},
  volume       = {abs/2010.06574},
  year         = {2020},
  url          = {https://arxiv.org/abs/2010.06574},
  eprinttype    = {arXiv},
  eprint       = {2010.06574},
  timestamp    = {Thu, 14 Oct 2021 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/corr/abs-2010-06574.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/corr/abs-2010-10517,
  author       = {Hyungro Lee and
                  Andr{\'{e}} Merzky and
                  Li Tan and
                  Mikhail Titov and
                  Matteo Turilli and
                  Dario Alf{\`{e}} and
                  Agastya Bhati and
                  Alex Brace and
                  Austin Clyde and
                  Peter V. Coveney and
                  Heng Ma and
                  Arvind Ramanathan and
                  Rick Stevens and
                  Anda Trifan and
                  Hubertus Van Dam and
                  Shunzhou Wan and
                  Sean R. Wilkinson and
                  Shantenu Jha},
  title        = {Scalable {HPC} and {AI} Infrastructure for {COVID-19} Therapeutics},
  journal      = {CoRR},
  volume       = {abs/2010.10517},
  year         = {2020},
  url          = {https://arxiv.org/abs/2010.10517},
  eprinttype    = {arXiv},
  eprint       = {2010.10517},
  timestamp    = {Thu, 22 Dec 2022 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/corr/abs-2010-10517.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/entropy/TranterLMWC19,
  author       = {Andrew Tranter and
                  Peter J. Love and
                  Florian Mintert and
                  Nathan Wiebe and
                  Peter V. Coveney},
  title        = {Ordering of Trotterization: Impact on Errors in Quantum Simulation
                  of Electronic Structure},
  journal      = {Entropy},
  volume       = {21},
  number       = {12},
  pages        = {1218},
  year         = {2019},
  url          = {https://doi.org/10.3390/e21121218},
  doi          = {10.3390/E21121218},
  timestamp    = {Mon, 13 Jan 2020 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/entropy/TranterLMWC19.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/fgcs/AlowayyedPSHGLB19,
  author       = {Saad Alowayyed and
                  Tomasz Piontek and
                  James L. Suter and
                  Olivier Hoenen and
                  Derek Groen and
                  Onnie Luk and
                  Bartosz Bosak and
                  Piotr Kopta and
                  Krzysztof Kurowski and
                  Oliver Perks and
                  Keeran Brabazon and
                  Vytautas Jancauskas and
                  David Coster and
                  Peter V. Coveney and
                  Alfons G. Hoekstra},
  title        = {Patterns for High Performance Multiscale Computing},
  journal      = {Future Gener. Comput. Syst.},
  volume       = {91},
  pages        = {335--346},
  year         = {2019},
  url          = {https://doi.org/10.1016/j.future.2018.08.045},
  doi          = {10.1016/J.FUTURE.2018.08.045},
  timestamp    = {Mon, 26 Jun 2023 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/fgcs/AlowayyedPSHGLB19.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/SinclairC19,
  author       = {Robert Sinclair and
                  Peter V. Coveney},
  title        = {Modeling Nanostructure in Graphene Oxide: Inhomogeneity and the Percolation
                  Threshold},
  journal      = {J. Chem. Inf. Model.},
  volume       = {59},
  number       = {6},
  pages        = {2741--2745},
  year         = {2019},
  url          = {https://doi.org/10.1021/acs.jcim.9b00114},
  doi          = {10.1021/ACS.JCIM.9B00114},
  timestamp    = {Tue, 01 Jun 2021 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcisd/SinclairC19.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/superfri/AlowayyedVCCH19,
  author       = {Saad Alowayyed and
                  Maxime Vassaux and
                  Benjamin Czaja and
                  Peter V. Coveney and
                  Alfons G. Hoekstra},
  title        = {Towards Heterogeneous Multi-scale Computing on Large Scale Parallel
                  Supercomputers},
  journal      = {Supercomput. Front. Innov.},
  volume       = {6},
  number       = {4},
  pages        = {20--43},
  year         = {2019},
  url          = {https://doi.org/10.14529/jsfi190402},
  doi          = {10.14529/JSFI190402},
  timestamp    = {Sun, 02 Oct 2022 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/superfri/AlowayyedVCCH19.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/iccS/GroenRWJSKVAPKB19,
  author       = {Derek Groen and
                  Robin A. Richardson and
                  David W. Wright and
                  Vytautas Jancauskas and
                  Robert Sinclair and
                  Paul Karlshoefer and
                  Maxime Vassaux and
                  Hamid Arabnejad and
                  Tomasz Piontek and
                  Piotr Kopta and
                  Bartosz Bosak and
                  Jalal Lakhlili and
                  Olivier Hoenen and
                  Diana Suleimenova and
                  Wouter Edeling and
                  Daan Crommelin and
                  Anna Nikishova and
                  Peter V. Coveney},
  editor       = {Jo{\~{a}}o M. F. Rodrigues and
                  Pedro J. S. Cardoso and
                  J{\^{a}}nio M. Monteiro and
                  Roberto Lam and
                  Valeria V. Krzhizhanovskaya and
                  Michael Harold Lees and
                  Jack J. Dongarra and
                  Peter M. A. Sloot},
  title        = {Introducing VECMAtk - Verification, Validation and Uncertainty Quantification
                  for Multiscale and {HPC} Simulations},
  booktitle    = {Computational Science - {ICCS} 2019 - 19th International Conference,
                  Faro, Portugal, June 12-14, 2019, Proceedings, Part {IV}},
  series       = {Lecture Notes in Computer Science},
  volume       = {11539},
  pages        = {479--492},
  publisher    = {Springer},
  year         = {2019},
  url          = {https://doi.org/10.1007/978-3-030-22747-0\_36},
  doi          = {10.1007/978-3-030-22747-0\_36},
  timestamp    = {Mon, 26 Jun 2023 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/conf/iccS/GroenRWJSKVAPKB19.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/icip/EsfahaniCZCABAD19,
  author       = {Sahar Soheilian Esfahani and
                  Peter V. Coveney and
                  Xiaojun Zhai and
                  Minsi Chen and
                  Abbes Amira and
                  Faycal Bensaali and
                  Julien Abinahed and
                  Sarada Dakua and
                  Georges Younes and
                  Robin A. Richardson},
  title        = {Hemelb Acceleration and Visualization for Cerebral Aneurysms},
  booktitle    = {2019 {IEEE} International Conference on Image Processing, {ICIP} 2019,
                  Taipei, Taiwan, September 22-25, 2019},
  pages        = {1376--1380},
  publisher    = {{IEEE}},
  year         = {2019},
  url          = {https://doi.org/10.1109/ICIP.2019.8803712},
  doi          = {10.1109/ICIP.2019.8803712},
  timestamp    = {Sat, 09 Apr 2022 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/conf/icip/EsfahaniCZCABAD19.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/corr/abs-1906-11925,
  author       = {Sahar Soheilian Esfahani and
                  Xiaojun Zhai and
                  Minsi Chen and
                  Abbes Amira and
                  Faycal Bensaali and
                  Julien Abinahed and
                  Sarada Dakua and
                  Georges Younes and
                  Robin A. Richardson and
                  Peter V. Coveney},
  title        = {{HEMELB} Acceleration and Visualization for Cerebral Aneurysms},
  journal      = {CoRR},
  volume       = {abs/1906.11925},
  year         = {2019},
  url          = {http://arxiv.org/abs/1906.11925},
  eprinttype    = {arXiv},
  eprint       = {1906.11925},
  timestamp    = {Mon, 29 Mar 2021 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/corr/abs-1906-11925.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/bmcbi/DakkaTWZBWCJ18,
  author       = {Jumana Dakka and
                  Matteo Turilli and
                  David W. Wright and
                  Stefan J. Zasada and
                  Vivek Balasubramanian and
                  Shunzhou Wan and
                  Peter V. Coveney and
                  Shantenu Jha},
  title        = {High-throughput binding affinity calculations at extreme scales},
  journal      = {{BMC} Bioinform.},
  volume       = {19-S},
  number       = {18},
  pages        = {33--45},
  year         = {2018},
  url          = {https://doi.org/10.1186/s12859-018-2506-6},
  doi          = {10.1186/S12859-018-2506-6},
  timestamp    = {Tue, 21 Mar 2023 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/bmcbi/DakkaTWZBWCJ18.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/ccgrid/DakkaFBTWWZCJ18,
  author       = {Jumana Dakka and
                  Kristof Farkas{-}Pall and
                  Vivek Balasubramanian and
                  Matteo Turilli and
                  Shunzhou Wan and
                  David W. Wright and
                  Stefan J. Zasada and
                  Peter V. Coveney and
                  Shantenu Jha},
  editor       = {Esam El{-}Araby and
                  Dhabaleswar K. Panda and
                  Sandra Gesing and
                  Amy W. Apon and
                  Volodymyr V. Kindratenko and
                  Massimo Cafaro and
                  Alfredo Cuzzocrea},
  title        = {Enabling Trade-offs Between Accuracy and Computational Cost: Adaptive
                  Algorithms to Reduce Time to Clinical Insight},
  booktitle    = {18th {IEEE/ACM} International Symposium on Cluster, Cloud and Grid
                  Computing, {CCGRID} 2018, Washington, DC, USA, May 1-4, 2018},
  pages        = {572--577},
  publisher    = {{IEEE} Computer Society},
  year         = {2018},
  url          = {https://doi.org/10.1109/CCGRID.2018.00005},
  doi          = {10.1109/CCGRID.2018.00005},
  timestamp    = {Sat, 30 Sep 2023 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/conf/ccgrid/DakkaFBTWWZCJ18.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/eScience/DakkaFTWCJ18,
  author       = {Jumana Dakka and
                  Kristof Farkas{-}Pall and
                  Matteo Turilli and
                  David W. Wright and
                  Peter V. Coveney and
                  Shantenu Jha},
  title        = {Concurrent and Adaptive Extreme Scale Binding Free Energy Calculations},
  booktitle    = {14th {IEEE} International Conference on e-Science, e-Science 2018,
                  Amsterdam, The Netherlands, October 29 - November 1, 2018},
  pages        = {189--200},
  publisher    = {{IEEE} Computer Society},
  year         = {2018},
  url          = {https://doi.org/10.1109/eScience.2018.00034},
  doi          = {10.1109/ESCIENCE.2018.00034},
  timestamp    = {Sat, 30 Sep 2023 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/conf/eScience/DakkaFTWCJ18.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/corr/abs-1801-01174,
  author       = {Jumana Dakka and
                  Kristof Farkas{-}Pall and
                  Vivek Balasubramanian and
                  Matteo Turilli and
                  David W. Wright and
                  Shunzhou Wan and
                  Stefan J. Zasada and
                  Peter V. Coveney and
                  Shantenu Jha},
  title        = {Rapid, concurrent and adaptive extreme scale binding free energy calculation},
  journal      = {CoRR},
  volume       = {abs/1801.01174},
  year         = {2018},
  url          = {http://arxiv.org/abs/1801.01174},
  eprinttype    = {arXiv},
  eprint       = {1801.01174},
  timestamp    = {Mon, 07 Sep 2020 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/corr/abs-1801-01174.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/corr/abs-1807-09515,
  author       = {Sauro Succi and
                  Peter V. Coveney},
  title        = {Big Data: the End of the Scientific Method?},
  journal      = {CoRR},
  volume       = {abs/1807.09515},
  year         = {2018},
  url          = {http://arxiv.org/abs/1807.09515},
  eprinttype    = {arXiv},
  eprint       = {1807.09515},
  timestamp    = {Mon, 13 Aug 2018 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/corr/abs-1807-09515.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/peerjpre/WrightRC18,
  author       = {David W. Wright and
                  Robin A. Richardson and
                  Peter V. Coveney},
  title        = {Practical challenges for biomedical modeling using {HPC}},
  journal      = {PeerJ Prepr.},
  volume       = {6},
  pages        = {e27299},
  year         = {2018},
  url          = {https://doi.org/10.7287/peerj.preprints.27299v1},
  doi          = {10.7287/PEERJ.PREPRINTS.27299V1},
  timestamp    = {Mon, 07 Sep 2020 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/peerjpre/WrightRC18.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/aes/PuurtinenTMHNCT17,
  author       = {Tuomas Puurtinen and
                  Jukka I. Toivanen and
                  Keijo Mattila and
                  Jari Hyv{\"{a}}luoma and
                  Rupert W. Nash and
                  Peter V. Coveney and
                  Jussi Timonen},
  title        = {Coupling of lattice-Boltzmann solvers with suspended particles using
                  the {MPI} intercommunication framework},
  journal      = {Adv. Eng. Softw.},
  volume       = {111},
  pages        = {52--57},
  year         = {2017},
  url          = {https://doi.org/10.1016/j.advengsoft.2016.07.008},
  doi          = {10.1016/J.ADVENGSOFT.2016.07.008},
  timestamp    = {Wed, 16 Mar 2022 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/aes/PuurtinenTMHNCT17.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/cphysics/SchmieschekSFKS17,
  author       = {Sebastian Schmieschek and
                  Lev Shamardin and
                  Stefan Frijters and
                  Timm Kr{\"{u}}ger and
                  Ulf D. Schiller and
                  Jens Harting and
                  Peter V. Coveney},
  title        = {{LB3D:} {A} parallel implementation of the Lattice-Boltzmann method
                  for simulation of interacting amphiphilic fluids},
  journal      = {Comput. Phys. Commun.},
  volume       = {217},
  pages        = {149--161},
  year         = {2017},
  url          = {https://doi.org/10.1016/j.cpc.2017.03.013},
  doi          = {10.1016/J.CPC.2017.03.013},
  timestamp    = {Fri, 21 Feb 2020 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/cphysics/SchmieschekSFKS17.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/WanBSOSBC17,
  author       = {Shunzhou Wan and
                  Agastya Bhati and
                  Sarah Skerratt and
                  Kiyoyuki Omoto and
                  Veerabahu Shanmugasundaram and
                  Sharan K. Bagal and
                  Peter V. Coveney},
  title        = {Evaluation and Characterization of Trk Kinase Inhibitors for the Treatment
                  of Pain: Reliable Binding Affinity Predictions from Theory and Computation},
  journal      = {J. Chem. Inf. Model.},
  volume       = {57},
  number       = {4},
  pages        = {897--909},
  year         = {2017},
  url          = {https://doi.org/10.1021/acs.jcim.6b00780},
  doi          = {10.1021/ACS.JCIM.6B00780},
  timestamp    = {Thu, 14 Oct 2021 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcisd/WanBSOSBC17.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jocs/AlowayyedGCH17,
  author       = {Saad Alowayyed and
                  Derek Groen and
                  Peter V. Coveney and
                  Alfons G. Hoekstra},
  title        = {Multiscale computing in the exascale era},
  journal      = {J. Comput. Sci.},
  volume       = {22},
  pages        = {15--25},
  year         = {2017},
  url          = {https://doi.org/10.1016/j.jocs.2017.07.004},
  doi          = {10.1016/J.JOCS.2017.07.004},
  timestamp    = {Tue, 25 Feb 2020 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/jocs/AlowayyedGCH17.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/corr/abs-1712-09168,
  author       = {Jumana Dakka and
                  Matteo Turilli and
                  David W. Wright and
                  Stefan J. Zasada and
                  Vivek Balasubramanian and
                  Shunzhou Wan and
                  Peter V. Coveney and
                  Shantenu Jha},
  title        = {High-throughput Binding Affinity Calculations at Extreme Scales},
  journal      = {CoRR},
  volume       = {abs/1712.09168},
  year         = {2017},
  url          = {http://arxiv.org/abs/1712.09168},
  eprinttype    = {arXiv},
  eprint       = {1712.09168},
  timestamp    = {Mon, 07 Sep 2020 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/corr/abs-1712-09168.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/cphysics/GroenBSHZC16,
  author       = {Derek Groen and
                  Agastya Bhati and
                  James J. Suter and
                  James Hetherington and
                  Stefan J. Zasada and
                  Peter V. Coveney},
  title        = {FabSim: Facilitating computational research through automation on
                  large-scale and distributed e-infrastructures},
  journal      = {Comput. Phys. Commun.},
  volume       = {207},
  pages        = {375--385},
  year         = {2016},
  url          = {https://doi.org/10.1016/j.cpc.2016.05.020},
  doi          = {10.1016/J.CPC.2016.05.020},
  timestamp    = {Thu, 14 Oct 2021 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/cphysics/GroenBSHZC16.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/corr/AlowayyedGCH16,
  author       = {Saad Alowayyed and
                  Derek Groen and
                  Peter V. Coveney and
                  Alfons G. Hoekstra},
  title        = {Multiscale Computing in the Exascale Era},
  journal      = {CoRR},
  volume       = {abs/1612.02467},
  year         = {2016},
  url          = {http://arxiv.org/abs/1612.02467},
  eprinttype    = {arXiv},
  eprint       = {1612.02467},
  timestamp    = {Mon, 13 Aug 2018 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/corr/AlowayyedGCH16.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jocs/ItaniSSHBCRCG15,
  author       = {Mohamed A. Itani and
                  Ulf D. Schiller and
                  Sebastian Schmieschek and
                  James Hetherington and
                  Miguel O. Bernabeu and
                  Hoskote Chandrashekar and
                  Fergus Robertson and
                  Peter V. Coveney and
                  Derek Groen},
  title        = {An automated multiscale ensemble simulation approach for vascular
                  blood flow},
  journal      = {J. Comput. Sci.},
  volume       = {9},
  pages        = {150--155},
  year         = {2015},
  url          = {https://doi.org/10.1016/j.jocs.2015.04.008},
  doi          = {10.1016/J.JOCS.2015.04.008},
  timestamp    = {Tue, 25 Feb 2020 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/jocs/ItaniSSHBCRCG15.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/embc/BernabeuLLACS15,
  author       = {Miguel O. Bernabeu and
                  Yang Lu and
                  Jan Lammer and
                  Lloyd Paul Aiello and
                  Peter V. Coveney and
                  Jennifer K. Sun},
  title        = {Characterization of parafoveal hemodynamics associated with diabetic
                  retinopathy with adaptive optics scanning laser ophthalmoscopy and
                  computational fluid dynamics},
  booktitle    = {37th Annual International Conference of the {IEEE} Engineering in
                  Medicine and Biology Society, {EMBC} 2015, Milan, Italy, August 25-29,
                  2015},
  pages        = {8070--8073},
  publisher    = {{IEEE}},
  year         = {2015},
  url          = {https://doi.org/10.1109/EMBC.2015.7320266},
  doi          = {10.1109/EMBC.2015.7320266},
  timestamp    = {Sun, 25 Oct 2020 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/conf/embc/BernabeuLLACS15.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/xsede/SamuelWCRMGW15,
  author       = {Tabitha K. Samuel and
                  Shunzhou Wan and
                  Peter V. Coveney and
                  Morris Riedel and
                  M. Shahbaz Memon and
                  Sandra Gesing and
                  Nancy Wilkins{-}Diehr},
  editor       = {Gregory D. Peterson},
  title        = {Overview of {XSEDE-PRACE} collaborative projects in 2014},
  booktitle    = {Proceedings of the 2015 {XSEDE} Conference: Scientific Advancements
                  Enabled by Enhanced Cyberinfrastructure, St. Louis, MO, USA, July
                  26 - 30, 2015},
  pages        = {24:1--24:8},
  publisher    = {{ACM}},
  year         = {2015},
  url          = {https://doi.org/10.1145/2792745.2792769},
  doi          = {10.1145/2792745.2792769},
  timestamp    = {Tue, 06 Nov 2018 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/conf/xsede/SamuelWCRMGW15.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/corr/ItaniSSHBCRCG15,
  author       = {Mohamed A. Itani and
                  Ulf D. Schiller and
                  Sebastian Schmieschek and
                  James Hetherington and
                  Miguel O. Bernabeu and
                  Hoskote Chandrashekar and
                  Fergus Robertson and
                  Peter V. Coveney and
                  Derek Groen},
  title        = {An automated multiscale ensemble simulation approach for vascular
                  blood flow},
  journal      = {CoRR},
  volume       = {abs/1504.07795},
  year         = {2015},
  url          = {http://arxiv.org/abs/1504.07795},
  eprinttype    = {arXiv},
  eprint       = {1504.07795},
  timestamp    = {Mon, 13 Aug 2018 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/corr/ItaniSSHBCRCG15.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/corr/GroenBSHZC15,
  author       = {Derek Groen and
                  Agastya Bhati and
                  James J. Suter and
                  James Hetherington and
                  Stefan J. Zasada and
                  Peter V. Coveney},
  title        = {FabSim: facilitating computational research through automation on
                  large-scale and distributed e-infrastructures},
  journal      = {CoRR},
  volume       = {abs/1512.02194},
  year         = {2015},
  url          = {http://arxiv.org/abs/1512.02194},
  eprinttype    = {arXiv},
  eprint       = {1512.02194},
  timestamp    = {Mon, 13 Aug 2018 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/corr/GroenBSHZC15.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/corr/ZasadaC15,
  author       = {Stefan J. Zasada and
                  Peter V. Coveney},
  title        = {A Distributed Multi-agent Market Place for {HPC} Compute Cycle Resource
                  Trading},
  journal      = {CoRR},
  volume       = {abs/1512.04343},
  year         = {2015},
  url          = {http://arxiv.org/abs/1512.04343},
  eprinttype    = {arXiv},
  eprint       = {1512.04343},
  timestamp    = {Mon, 13 Aug 2018 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/corr/ZasadaC15.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/cse/GroenZC14,
  author       = {Derek Groen and
                  Stefan J. Zasada and
                  Peter V. Coveney},
  title        = {Survey of Multiscale and Multiphysics Applications and Communities},
  journal      = {Comput. Sci. Eng.},
  volume       = {16},
  number       = {2},
  pages        = {34--43},
  year         = {2014},
  url          = {https://doi.org/10.1109/MCSE.2013.47},
  doi          = {10.1109/MCSE.2013.47},
  timestamp    = {Thu, 12 Mar 2020 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/cse/GroenZC14.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/MartinJC14,
  author       = {Hugh S. C. Martin and
                  Shantenu Jha and
                  Peter V. Coveney},
  title        = {Comparative analysis of nucleotide translocation through protein nanopores
                  using steered molecular dynamics and an adaptive biasing force},
  journal      = {J. Comput. Chem.},
  volume       = {35},
  number       = {9},
  pages        = {692--702},
  year         = {2014},
  url          = {https://doi.org/10.1002/jcc.23525},
  doi          = {10.1002/JCC.23525},
  timestamp    = {Tue, 21 Mar 2023 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/jcc/MartinJC14.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jocs/ZasadaCHC14,
  author       = {Stefan J. Zasada and
                  David Chan{-}Wei Chang and
                  Ali Nasrat Haidar and
                  Peter V. Coveney},
  title        = {Flexible composition and execution of large scale applications on
                  distributed e-infrastructures},
  journal      = {J. Comput. Sci.},
  volume       = {5},
  number       = {1},
  pages        = {51--62},
  year         = {2014},
  url          = {https://doi.org/10.1016/j.jocs.2013.10.009},
  doi          = {10.1016/J.JOCS.2013.10.009},
  timestamp    = {Tue, 25 Feb 2020 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/jocs/ZasadaCHC14.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jocs/BorgdorffMBKBCGCH14,
  author       = {Joris Borgdorff and
                  Mariusz Mamonski and
                  Bartosz Bosak and
                  Krzysztof Kurowski and
                  Mohamed Ben Belgacem and
                  Bastien Chopard and
                  Derek Groen and
                  Peter V. Coveney and
                  Alfons G. Hoekstra},
  title        = {Distributed multiscale computing with {MUSCLE} 2, the Multiscale Coupling
                  Library and Environment},
  journal      = {J. Comput. Sci.},
  volume       = {5},
  number       = {5},
  pages        = {719--731},
  year         = {2014},
  url          = {https://doi.org/10.1016/j.jocs.2014.04.004},
  doi          = {10.1016/J.JOCS.2014.04.004},
  timestamp    = {Fri, 09 Apr 2021 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jocs/BorgdorffMBKBCGCH14.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/amia/MaresSWASNZGC14,
  author       = {J. Mar{\'{e}}s and
                  Lev Shamardin and
                  Gabriele Weiler and
                  Alberto Anguita and
                  Stelios Sfakianakis and
                  Elias Neri and
                  Stefan J. Zasada and
                  Norbert M. Graf and
                  Peter V. Coveney},
  title        = {p-medicine: {A} Medical Informatics Platform for Integrated Large
                  Scale Heterogeneous Patient Data},
  booktitle    = {{AMIA} 2014, American Medical Informatics Association Annual Symposium,
                  Washington, DC, USA, November 15-19, 2014},
  publisher    = {{AMIA}},
  year         = {2014},
  url          = {https://knowledge.amia.org/56638-amia-1.1540970/t-004-1.1544972/f-004-1.1544973/a-185-1.1545118/a-186-1.1545115},
  timestamp    = {Wed, 04 Aug 2021 11:13:07 +0200},
  biburl       = {https://dblp.org/rec/conf/amia/MaresSWASNZGC14.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/easc/GroenCNJBC14,
  author       = {Derek Groen and
                  David Abou Chacra and
                  Rupert W. Nash and
                  Jir{\'{\i}} Jaros and
                  Miguel O. Bernabeu and
                  Peter V. Coveney},
  editor       = {Stefano Markidis and
                  Erwin Laure},
  title        = {Weighted Decomposition in High-Performance Lattice-Boltzmann Simulations:
                  Are Some Lattice Sites More Equal than Others?},
  booktitle    = {Solving Software Challenges for Exascale - International Conference
                  on Exascale Applications and Software, {EASC} 2014, Stockholm, Sweden,
                  April 2-3, 2014, Revised Selected Papers},
  series       = {Lecture Notes in Computer Science},
  volume       = {8759},
  pages        = {28--38},
  publisher    = {Springer},
  year         = {2014},
  url          = {https://doi.org/10.1007/978-3-319-15976-8\_2},
  doi          = {10.1007/978-3-319-15976-8\_2},
  timestamp    = {Tue, 14 May 2019 10:00:43 +0200},
  biburl       = {https://dblp.org/rec/conf/easc/GroenCNJBC14.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/corr/GroenCNJBC14,
  author       = {Derek Groen and
                  David Abou Chacra and
                  Rupert W. Nash and
                  Jir{\'{\i}} Jaros and
                  Miguel O. Bernabeu and
                  Peter V. Coveney},
  title        = {Weighted decomposition in high-performance lattice-Boltzmann simulations:
                  are some lattice sites more equal than others?},
  journal      = {CoRR},
  volume       = {abs/1410.4713},
  year         = {2014},
  url          = {http://arxiv.org/abs/1410.4713},
  eprinttype    = {arXiv},
  eprint       = {1410.4713},
  timestamp    = {Mon, 13 Aug 2018 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/corr/GroenCNJBC14.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/ijdc/LecarpentierWEMKCB13,
  author       = {Damien Lecarpentier and
                  Peter Wittenburg and
                  Willem Elbers and
                  Alberto Michelini and
                  Riam Kanso and
                  Peter V. Coveney and
                  Rob Baxter},
  title        = {{EUDAT:} {A} New Cross-Disciplinary Data Infrastructure for Science},
  journal      = {Int. J. Digit. Curation},
  volume       = {8},
  number       = {1},
  pages        = {279--287},
  year         = {2013},
  url          = {https://doi.org/10.2218/ijdc.v8i1.260},
  doi          = {10.2218/IJDC.V8I1.260},
  timestamp    = {Wed, 22 Jul 2020 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/ijdc/LecarpentierWEMKCB13.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jisa/RiedelWRSRVFMMCEBVELBTCZHBMMMHSLKL13,
  author       = {Morris Riedel and
                  Peter Wittenburg and
                  Johannes Reetz and
                  Mark van de Sanden and
                  Jedrzej Rybicki and
                  Benedikt von St. Vieth and
                  Giuseppe Fiameni and
                  Giacomo Mariani and
                  Alberto Michelini and
                  Claudio Cacciari and
                  Willem Elbers and
                  Daan Broeder and
                  Robert Verkerk and
                  Elena Erastova and
                  Michael Lautenschlaeger and
                  Reinhard Budig and
                  Hannes Thiemann and
                  Peter V. Coveney and
                  Stefan J. Zasada and
                  Ali Nasrat Haidar and
                  Otto Buechner and
                  Cristina Manzano and
                  A. Shiraz Memon and
                  Ahmed Shiraz Memon and
                  Heikki Helin and
                  Jari Suhonen and
                  Damien Lecarpentier and
                  Kimmo Koski and
                  Thomas Lippert},
  title        = {A data infrastructure reference model with applications: towards realization
                  of a ScienceTube vision with a data replication service},
  journal      = {J. Internet Serv. Appl.},
  volume       = {4},
  number       = {1},
  pages        = {1:1--1:17},
  year         = {2013},
  url          = {https://doi.org/10.1186/1869-0238-4-1},
  doi          = {10.1186/1869-0238-4-1},
  timestamp    = {Sat, 30 Sep 2023 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jisa/RiedelWRSRVFMMCEBVELBTCZHBMMMHSLKL13.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jocs/GroenHCNBC13,
  author       = {Derek Groen and
                  James Hetherington and
                  Hywel B. Carver and
                  Rupert W. Nash and
                  Miguel O. Bernabeu and
                  Peter V. Coveney},
  title        = {Analysing and modelling the performance of the HemeLB lattice-Boltzmann
                  simulation environment},
  journal      = {J. Comput. Sci.},
  volume       = {4},
  number       = {5},
  pages        = {412--422},
  year         = {2013},
  url          = {https://doi.org/10.1016/j.jocs.2013.03.002},
  doi          = {10.1016/J.JOCS.2013.03.002},
  timestamp    = {Tue, 25 Feb 2020 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/jocs/GroenHCNBC13.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/ploscb/KonnyuSTHMKCM13,
  author       = {Bal{\'{a}}zs K{\"{o}}nny{\"{u}} and
                  S. Kashif Sadiq and
                  Tam{\'{a}}s Tur{\'{a}}nyi and
                  Rita H{\'{\i}}rmond{\'{o}} and
                  Barbara M{\"{u}}ller and
                  Hans{-}Georg Kr{\"{a}}usslich and
                  Peter V. Coveney and
                  Viktor M{\"{u}}ller},
  title        = {Gag-Pol Processing during {HIV-1} Virion Maturation: {A} Systems Biology
                  Approach},
  journal      = {PLoS Comput. Biol.},
  volume       = {9},
  number       = {6},
  year         = {2013},
  url          = {https://doi.org/10.1371/journal.pcbi.1003103},
  doi          = {10.1371/JOURNAL.PCBI.1003103},
  timestamp    = {Thu, 10 Sep 2020 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/ploscb/KonnyuSTHMKCM13.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/iccS/RycerzCDGGHPSZCB13,
  author       = {Katarzyna Rycerz and
                  Eryk Ciepiela and
                  Grzegorz Dyk and
                  Derek Groen and
                  Tomasz Gubala and
                  Daniel Harezlak and
                  Maciej Pawlik and
                  James J. Suter and
                  Stefan J. Zasada and
                  Peter V. Coveney and
                  Marian Bubak},
  editor       = {Vassil Alexandrov and
                  Michael Lees and
                  Valeria V. Krzhizhanovskaya and
                  Jack J. Dongarra and
                  Peter M. A. Sloot},
  title        = {Support for Multiscale Simulations with Molecular Dynamics},
  booktitle    = {Proceedings of the International Conference on Computational Science,
                  {ICCS} 2013, Barcelona, Spain, 5-7 June, 2013},
  series       = {Procedia Computer Science},
  volume       = {18},
  pages        = {1116--1125},
  publisher    = {Elsevier},
  year         = {2013},
  url          = {https://doi.org/10.1016/j.procs.2013.05.277},
  doi          = {10.1016/J.PROCS.2013.05.277},
  timestamp    = {Sun, 12 Nov 2023 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/conf/iccS/RycerzCDGGHPSZCB13.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/parco/JohnsonBGBPGRFZC13,
  author       = {Chris Johnson and
                  Anastasia V. Bochenkova and
                  Alexander A. Granovsky and
                  Peter J. Bond and
                  Teresa Paramo and
                  Tristan Glatard and
                  William A. Romero R. and
                  Denis Friboulet and
                  Stefan J. Zasada and
                  Peter V. Coveney},
  editor       = {Michael Bader and
                  Arndt Bode and
                  Hans{-}Joachim Bungartz and
                  Michael Gerndt and
                  Gerhard R. Joubert and
                  Frans J. Peters},
  title        = {{PRACE} {DECI} (Distributed European Computing Initiative) Minisymposium},
  booktitle    = {Parallel Computing: Accelerating Computational Science and Engineering
                  (CSE), Proceedings of the International Conference on Parallel Computing,
                  ParCo 2013, 10-13 September 2013, Garching (near Munich), Germany},
  series       = {Advances in Parallel Computing},
  volume       = {25},
  pages        = {805--812},
  publisher    = {{IOS} Press},
  year         = {2013},
  url          = {https://doi.org/10.3233/978-1-61499-381-0-805},
  doi          = {10.3233/978-1-61499-381-0-805},
  timestamp    = {Sun, 02 Oct 2022 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/conf/parco/JohnsonBGBPGRFZC13.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/corr/BernabeuFJNKNGHGC13,
  author       = {Miguel O. Bernabeu and
                  Claudio A. Franco and
                  Martin Jones and
                  Jens H. Nielsen and
                  Timm Kr{\"{u}}ger and
                  Rupert W. Nash and
                  Derek Groen and
                  James Hetherington and
                  Holger Gerhardt and
                  Peter V. Coveney},
  title        = {Computer simulations reveal complex distribution of haemodynamic forces
                  in a mouse retina model of angiogenesis},
  journal      = {CoRR},
  volume       = {abs/1311.1640},
  year         = {2013},
  url          = {http://arxiv.org/abs/1311.1640},
  eprinttype    = {arXiv},
  eprint       = {1311.1640},
  timestamp    = {Mon, 13 Aug 2018 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/corr/BernabeuFJNKNGHGC13.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/corr/BorgdorffMBKBCGCH13,
  author       = {Joris Borgdorff and
                  Mariusz Mamonski and
                  Bartosz Bosak and
                  Krzysztof Kurowski and
                  Mohamed Ben Belgacem and
                  Bastien Chopard and
                  Derek Groen and
                  Peter V. Coveney and
                  Alfons G. Hoekstra},
  title        = {Distributed Multiscale Computing with {MUSCLE} 2, the Multiscale Coupling
                  Library and Environment},
  journal      = {CoRR},
  volume       = {abs/1311.5740},
  year         = {2013},
  url          = {http://arxiv.org/abs/1311.5740},
  eprinttype    = {arXiv},
  eprint       = {1311.5740},
  timestamp    = {Mon, 13 Aug 2018 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/corr/BorgdorffMBKBCGCH13.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/WanC12,
  author       = {Shunzhou Wan and
                  Peter V. Coveney},
  title        = {Regulation of {JAK2} Activation by Janus Homology 2: Evidence from
                  Molecular Dynamics Simulations},
  journal      = {J. Chem. Inf. Model.},
  volume       = {52},
  number       = {11},
  pages        = {2992--3000},
  year         = {2012},
  url          = {https://doi.org/10.1021/ci300308g},
  doi          = {10.1021/CI300308G},
  timestamp    = {Fri, 06 Mar 2020 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/jcisd/WanC12.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jocs/ZasadaWHLGCMC12,
  author       = {Stefan J. Zasada and
                  Tao Wang and
                  Ali Nasrat Haidar and
                  Enjie Liu and
                  Norbert M. Graf and
                  Gordon Clapworthy and
                  Steven Manos and
                  Peter V. Coveney},
  title        = {{IMENSE:} An e-infrastructure environment for patient specific multiscale
                  data integration, modelling and clinical treatment},
  journal      = {J. Comput. Sci.},
  volume       = {3},
  number       = {5},
  pages        = {314--327},
  year         = {2012},
  url          = {https://doi.org/10.1016/j.jocs.2011.07.001},
  doi          = {10.1016/J.JOCS.2011.07.001},
  timestamp    = {Mon, 15 Jun 2020 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jocs/ZasadaWHLGCMC12.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/amia/ZasadaHC12,
  author       = {Stefan J. Zasada and
                  Ali Nasrat Haidar and
                  Peter V. Coveney},
  title        = {A Comparative Analysis of the Usability and Legal Implications of
                  Different Patient Data Sharing Architectures},
  booktitle    = {{AMIA} 2012, American Medical Informatics Association Annual Symposium,
                  Chicago, Illinois, USA, November 3-7, 2012},
  publisher    = {{AMIA}},
  year         = {2012},
  url          = {https://knowledge.amia.org/amia-55142-a2012a-1.636547/t-006-1.640361/f-001-1.640362/a-281-1.640366/a-282-1.640363},
  timestamp    = {Wed, 04 Aug 2021 11:13:05 +0200},
  biburl       = {https://dblp.org/rec/conf/amia/ZasadaHC12.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/cbms/ChangZC12,
  author       = {David Chan{-}Wei Chang and
                  Stefan J. Zasada and
                  Peter V. Coveney},
  editor       = {Paolo Soda and
                  Francesco Tortorella and
                  Sameer K. Antani and
                  Mykola Pechenizkiy and
                  Mario Cannataro and
                  Alexey Tsymbal},
  title        = {The Application Hosting Environment 3.0: Simplifying biomedical simulations
                  using RESTful web services},
  booktitle    = {Proceedings of {CBMS} 2012, The 25th {IEEE} International Symposium
                  on Computer-Based Medical Systems, June 20-22, 2012, Rome, Italy},
  pages        = {1--4},
  publisher    = {{IEEE} Computer Society},
  year         = {2012},
  url          = {https://doi.org/10.1109/CBMS.2012.6266405},
  doi          = {10.1109/CBMS.2012.6266405},
  timestamp    = {Fri, 24 Mar 2023 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/conf/cbms/ChangZC12.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/dsrt/ZasadaMGBSPKC12,
  author       = {Stefan J. Zasada and
                  Mariusz Mamonski and
                  Derek Groen and
                  Joris Borgdorff and
                  Ilya Saverchenko and
                  Tomasz Piontek and
                  Krzysztof Kurowski and
                  Peter V. Coveney},
  editor       = {Azzedine Boukerche and
                  Vinny Cahill and
                  Abdulmotaleb El{-}Saddik and
                  Georgios Theodoropoulos and
                  Ray Walshe},
  title        = {Distributed Infrastructure for Multiscale Computing},
  booktitle    = {16th {IEEE/ACM} International Symposium on Distributed Simulation
                  and Real Time Applications, {DS-RT} 2012, Dublin, Ireland, October
                  25-27, 2012},
  pages        = {65--74},
  publisher    = {{IEEE} Computer Society},
  year         = {2012},
  url          = {https://doi.org/10.1109/DS-RT.2012.17},
  doi          = {10.1109/DS-RT.2012.17},
  timestamp    = {Thu, 23 Mar 2023 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/conf/dsrt/ZasadaMGBSPKC12.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/efmi-stc/CoveneyS12,
  author       = {Peter V. Coveney and
                  Nour W. Shublaq},
  editor       = {Bernd Blobel and
                  Rolf Engelbrecht and
                  Michael A. Shifrin},
  title        = {Computational Biomedicine: {A} Challenge for the Twenty-First Century},
  booktitle    = {Large Scale Projects in eHealth - Partnership in Modernization: Proceedings
                  of the {EFMI} Special Topic Conference, {EFMI-STC} 2012, Moscow, Russia,
                  April 18-20, 2012},
  series       = {Studies in Health Technology and Informatics},
  volume       = {174},
  pages        = {105--110},
  publisher    = {{IOS} Press},
  year         = {2012},
  url          = {https://doi.org/10.3233/978-1-61499-052-9-105},
  doi          = {10.3233/978-1-61499-052-9-105},
  timestamp    = {Wed, 04 Mar 2020 14:10:38 +0100},
  biburl       = {https://dblp.org/rec/conf/efmi-stc/CoveneyS12.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/efmi-stc/ShublaqC12,
  author       = {Nour W. Shublaq and
                  Peter V. Coveney},
  editor       = {Bernd Blobel and
                  Rolf Engelbrecht and
                  Michael A. Shifrin},
  title        = {Merging Genomic and Phenomic Data for Research and Clinical Impact},
  booktitle    = {Large Scale Projects in eHealth - Partnership in Modernization: Proceedings
                  of the {EFMI} Special Topic Conference, {EFMI-STC} 2012, Moscow, Russia,
                  April 18-20, 2012},
  series       = {Studies in Health Technology and Informatics},
  volume       = {174},
  pages        = {111--115},
  publisher    = {{IOS} Press},
  year         = {2012},
  url          = {https://doi.org/10.3233/978-1-61499-052-9-111},
  doi          = {10.3233/978-1-61499-052-9-111},
  timestamp    = {Mon, 19 Feb 2018 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/conf/efmi-stc/ShublaqC12.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/corr/abs-1208-6444,
  author       = {Derek Groen and
                  Stefan J. Zasada and
                  Peter V. Coveney},
  title        = {Survey of Multiscale and Multiphysics Applications and Communities},
  journal      = {CoRR},
  volume       = {abs/1208.6444},
  year         = {2012},
  url          = {http://arxiv.org/abs/1208.6444},
  eprinttype    = {arXiv},
  eprint       = {1208.6444},
  timestamp    = {Mon, 13 Aug 2018 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/corr/abs-1208-6444.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/corr/abs-1209-3972,
  author       = {Derek Groen and
                  James Hetherington and
                  Hywel B. Carver and
                  Rupert W. Nash and
                  Miguel O. Bernabeu and
                  Peter V. Coveney},
  title        = {Analyzing and Modeling the Performance of the HemeLB Lattice-Boltzmann
                  Simulation Environment},
  journal      = {CoRR},
  volume       = {abs/1209.3972},
  year         = {2012},
  url          = {http://arxiv.org/abs/1209.3972},
  eprinttype    = {arXiv},
  eprint       = {1209.3972},
  timestamp    = {Mon, 13 Aug 2018 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/corr/abs-1209-3972.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/corr/abs-1210-4400,
  author       = {Hywel B. Carver and
                  Derek Groen and
                  James Hetherington and
                  Rupert W. Nash and
                  Miguel O. Bernabeu and
                  Peter V. Coveney},
  title        = {Coalesced communication: a design pattern for complex parallel scientific
                  software},
  journal      = {CoRR},
  volume       = {abs/1210.4400},
  year         = {2012},
  url          = {http://arxiv.org/abs/1210.4400},
  eprinttype    = {arXiv},
  eprint       = {1210.4400},
  timestamp    = {Mon, 13 Aug 2018 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/corr/abs-1210-4400.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/corr/abs-1211-2963,
  author       = {Derek Groen and
                  Joris Borgdorff and
                  Carles Bona{-}Casas and
                  James Hetherington and
                  Rupert W. Nash and
                  Stefan J. Zasada and
                  Ilya Saverchenko and
                  Mariusz Mamonski and
                  Krzysztof Kurowski and
                  Miguel O. Bernabeu and
                  Alfons G. Hoekstra and
                  Peter V. Coveney},
  title        = {Flexible composition and execution of high performance, high fidelity
                  multiscale biomedical simulations},
  journal      = {CoRR},
  volume       = {abs/1211.2963},
  year         = {2012},
  url          = {http://arxiv.org/abs/1211.2963},
  eprinttype    = {arXiv},
  eprint       = {1211.2963},
  timestamp    = {Mon, 13 Aug 2018 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/corr/abs-1211-2963.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/corr/abs-1211-5292,
  author       = {Miguel O. Bernabeu and
                  Rupert W. Nash and
                  Derek Groen and
                  Hywel B. Carver and
                  James Hetherington and
                  Timm Kr{\"{u}}ger and
                  Peter V. Coveney},
  title        = {Choice of blood rheology model has minor impact on computational assessment
                  of shear stress mediated vascular risk},
  journal      = {CoRR},
  volume       = {abs/1211.5292},
  year         = {2012},
  url          = {http://arxiv.org/abs/1211.5292},
  eprinttype    = {arXiv},
  eprint       = {1211.5292},
  timestamp    = {Mon, 13 Aug 2018 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/corr/abs-1211-5292.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/icl/HewerNC11,
  author       = {Thomas D. Hewer and
                  Maziar M. Nekovee and
                  Peter V. Coveney},
  title        = {Universality of Performance Parameters in Vehicular ad hoc Networks},
  journal      = {{IEEE} Commun. Lett.},
  volume       = {15},
  number       = {9},
  pages        = {947--949},
  year         = {2011},
  url          = {https://doi.org/10.1109/LCOMM.2011.062911.110710},
  doi          = {10.1109/LCOMM.2011.062911.110710},
  timestamp    = {Fri, 06 Aug 2021 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/icl/HewerNC11.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/WanC11,
  author       = {Shunzhou Wan and
                  Peter V. Coveney},
  title        = {Molecular dynamics simulation reveals structural and thermodynamic
                  features of kinase activation by cancer mutations within the epidermal
                  growth factor receptor},
  journal      = {J. Comput. Chem.},
  volume       = {32},
  number       = {13},
  pages        = {2843--2852},
  year         = {2011},
  url          = {https://doi.org/10.1002/jcc.21866},
  doi          = {10.1002/JCC.21866},
  timestamp    = {Wed, 01 Apr 2020 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcc/WanC11.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/WrightC11,
  author       = {David W. Wright and
                  Peter V. Coveney},
  title        = {Resolution of Discordant {HIV-1} Protease Resistance Rankings Using
                  Molecular Dynamics Simulations},
  journal      = {J. Chem. Inf. Model.},
  volume       = {51},
  number       = {10},
  pages        = {2636--2649},
  year         = {2011},
  url          = {https://doi.org/10.1021/ci200308r},
  doi          = {10.1021/CI200308R},
  timestamp    = {Mon, 07 Sep 2020 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcisd/WrightC11.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jocs/ShublaqZC11,
  author       = {Nour Shublaq and
                  Stefan J. Zasada and
                  Peter V. Coveney},
  title        = {Exciting Times in Computational Science},
  journal      = {J. Comput. Sci.},
  volume       = {2},
  number       = {4},
  pages        = {315},
  year         = {2011},
  url          = {https://doi.org/10.1016/j.jocs.2011.11.001},
  doi          = {10.1016/J.JOCS.2011.11.001},
  timestamp    = {Tue, 25 Feb 2020 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/jocs/ShublaqZC11.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/eScience/GroenSC11,
  author       = {Derek Groen and
                  James J. Suter and
                  Peter V. Coveney},
  title        = {Modelling Distributed Multiscale Simulation Performance: An Application
                  to Nanocomposites},
  booktitle    = {{IEEE} 7th International Conference on E-Science, e-Science 2011,
                  Workshop Proceedings, Stockholm, Sweden, December 5-8, 2011},
  pages        = {105--111},
  publisher    = {{IEEE} Computer Society},
  year         = {2011},
  url          = {https://doi.org/10.1109/eScienceW.2011.37},
  doi          = {10.1109/ESCIENCEW.2011.37},
  timestamp    = {Fri, 24 Mar 2023 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/conf/eScience/GroenSC11.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/eScience/GroenZC11,
  author       = {Derek Groen and
                  Stefan J. Zasada and
                  Peter V. Coveney},
  title        = {Taxonomy of Multiscale Computing Communities},
  booktitle    = {{IEEE} 7th International Conference on E-Science, e-Science 2011,
                  Workshop Proceedings, Stockholm, Sweden, December 5-8, 2011},
  pages        = {120--127},
  publisher    = {{IEEE} Computer Society},
  year         = {2011},
  url          = {https://doi.org/10.1109/eScienceW.2011.11},
  doi          = {10.1109/ESCIENCEW.2011.11},
  timestamp    = {Fri, 24 Mar 2023 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/conf/eScience/GroenZC11.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/tg/Kenway0HMPWCJ11,
  author       = {Owain Kenway and
                  David W. Wright and
                  Helmut Heller and
                  Andr{\'{e}} Merzky and
                  Gavin J. Pringle and
                  Jules Wolfrat and
                  Peter V. Coveney and
                  Shantenu Jha},
  editor       = {John Towns and
                  Shawn Brown and
                  Daniel S. Katz},
  title        = {Towards high-throughput, high-performance computational estimation
                  of binding affinities for patient specific {HIV-1} protease sequences},
  booktitle    = {Proceedings of the 2011 TeraGrid Conference - Extreme Digital Discovery,
                  {TG} '11, Salt Lake City, Utah, USA, July 18-21, 2011},
  pages        = {4:1--4:8},
  publisher    = {{ACM}},
  year         = {2011},
  url          = {https://doi.org/10.1145/2016741.2016746},
  doi          = {10.1145/2016741.2016746},
  timestamp    = {Tue, 21 Mar 2023 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/conf/tg/Kenway0HMPWCJ11.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/tg/ZasadaGC11,
  author       = {Stefan J. Zasada and
                  Derek Groen and
                  Peter V. Coveney},
  editor       = {John Towns and
                  Shawn Brown and
                  Daniel S. Katz},
  title        = {Developing an infrastructure to support multiscale modelling and simulation},
  booktitle    = {Proceedings of the 2011 TeraGrid Conference - Extreme Digital Discovery,
                  {TG} '11, Salt Lake City, Utah, USA, July 18-21, 2011},
  pages        = {30:1--30:2},
  publisher    = {{ACM}},
  year         = {2011},
  url          = {https://doi.org/10.1145/2016741.2016773},
  doi          = {10.1145/2016741.2016773},
  timestamp    = {Sat, 09 Apr 2022 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/conf/tg/ZasadaGC11.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/tg/ZasadaHC11,
  author       = {Stefan J. Zasada and
                  Ali Nasrat Haidar and
                  Peter V. Coveney},
  editor       = {John Towns and
                  Shawn Brown and
                  Daniel S. Katz},
  title        = {Audited credential delegation: a usable identity management solution
                  for grid environments},
  booktitle    = {Proceedings of the 2011 TeraGrid Conference - Extreme Digital Discovery,
                  {TG} '11, Salt Lake City, Utah, USA, July 18-21, 2011},
  pages        = {31:1--31:2},
  publisher    = {{ACM}},
  year         = {2011},
  url          = {https://doi.org/10.1145/2016741.2016774},
  doi          = {10.1145/2016741.2016774},
  timestamp    = {Fri, 11 Feb 2022 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/conf/tg/ZasadaHC11.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/cphysics/MazzeoMC10,
  author       = {Marco D. Mazzeo and
                  Steven Manos and
                  Peter V. Coveney},
  title        = {In situ ray tracing and computational steering for interactive blood
                  flow simulation},
  journal      = {Comput. Phys. Commun.},
  volume       = {181},
  number       = {2},
  pages        = {355--370},
  year         = {2010},
  url          = {https://doi.org/10.1016/j.cpc.2009.10.013},
  doi          = {10.1016/J.CPC.2009.10.013},
  timestamp    = {Fri, 21 Feb 2020 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/cphysics/MazzeoMC10.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/cphysics/DoctorsMC10,
  author       = {G. M. Doctors and
                  Marco D. Mazzeo and
                  Peter V. Coveney},
  title        = {A computationally efficient method for simulating fluid flow in elastic
                  pipes in three dimensions},
  journal      = {Comput. Phys. Commun.},
  volume       = {181},
  number       = {9},
  pages        = {1584--1592},
  year         = {2010},
  url          = {https://doi.org/10.1016/j.cpc.2010.05.012},
  doi          = {10.1016/J.CPC.2010.05.012},
  timestamp    = {Fri, 21 Feb 2020 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/cphysics/DoctorsMC10.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/ejasp/HewerNC10,
  author       = {Thomas D. Hewer and
                  Maziar M. Nekovee and
                  Peter V. Coveney},
  title        = {Reducing Congestion in Obstructed Highways with Traffic Data Dissemination
                  Using Ad hoc Vehicular Networks},
  journal      = {{EURASIP} J. Adv. Signal Process.},
  volume       = {2010},
  year         = {2010},
  url          = {https://doi.org/10.1155/2010/169503},
  doi          = {10.1155/2010/169503},
  timestamp    = {Fri, 06 Aug 2021 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/ejasp/HewerNC10.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/fgcs/CoveneyGJMMPSSSTZ10,
  author       = {Peter V. Coveney and
                  Giovanni Giupponi and
                  Shantenu Jha and
                  Steven Manos and
                  Jon MacLaren and
                  Stephen Pickles and
                  R. S. Saksena and
                  Thomas Soddemann and
                  James L. Suter and
                  Mary{-}Ann Thyveetil and
                  Stefan J. Zasada},
  title        = {Large scale computational science on federated international grids:
                  The role of switched optical networks},
  journal      = {Future Gener. Comput. Syst.},
  volume       = {26},
  number       = {1},
  pages        = {99--110},
  year         = {2010},
  url          = {https://doi.org/10.1016/j.future.2008.09.013},
  doi          = {10.1016/J.FUTURE.2008.09.013},
  timestamp    = {Thu, 20 Apr 2023 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/fgcs/CoveneyGJMMPSSSTZ10.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/fgcs/AnnettC10,
  author       = {James F. Annett and
                  Peter V. Coveney},
  title        = {Special section: CompSci07, Computational Science 2007: Interdisciplinary
                  challenges and perspectives, from the Grid to e-Science},
  journal      = {Future Gener. Comput. Syst.},
  volume       = {26},
  number       = {3},
  pages        = {504--505},
  year         = {2010},
  url          = {https://doi.org/10.1016/j.future.2009.10.009},
  doi          = {10.1016/J.FUTURE.2009.10.009},
  timestamp    = {Wed, 19 Feb 2020 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/fgcs/AnnettC10.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/SadiqWKC10,
  author       = {S. Kashif Sadiq and
                  David W. Wright and
                  Owain Kenway and
                  Peter V. Coveney},
  title        = {Accurate Ensemble Molecular Dynamics Binding Free Energy Ranking of
                  Multidrug-Resistant {HIV-1} Proteases},
  journal      = {J. Chem. Inf. Model.},
  volume       = {50},
  number       = {5},
  pages        = {890--905},
  year         = {2010},
  url          = {https://doi.org/10.1021/ci100007w},
  doi          = {10.1021/CI100007W},
  timestamp    = {Mon, 07 Sep 2020 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcisd/SadiqWKC10.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jocs/SlootCD10,
  author       = {Peter M. A. Sloot and
                  Peter V. Coveney and
                  Jack J. Dongarra},
  title        = {Preface},
  journal      = {J. Comput. Sci.},
  volume       = {1},
  number       = {1},
  pages        = {3--4},
  year         = {2010},
  url          = {https://doi.org/10.1016/j.jocs.2010.04.003},
  doi          = {10.1016/J.JOCS.2010.04.003},
  timestamp    = {Tue, 25 Feb 2020 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/jocs/SlootCD10.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jocs/FazendeiroBCL10,
  author       = {Luis Fazendeiro and
                  Bruce M. Boghosian and
                  Peter V. Coveney and
                  Jonas L{\"{a}}tt},
  title        = {Unstable periodic orbits in weak turbulence},
  journal      = {J. Comput. Sci.},
  volume       = {1},
  number       = {1},
  pages        = {13--23},
  year         = {2010},
  url          = {https://doi.org/10.1016/j.jocs.2010.03.004},
  doi          = {10.1016/J.JOCS.2010.03.004},
  timestamp    = {Thu, 10 Sep 2020 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jocs/FazendeiroBCL10.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/IEEEias/HaidarZCAB10,
  author       = {Ali Nasrat Haidar and
                  Stefan J. Zasada and
                  Peter V. Coveney and
                  Ali E. Abdallah and
                  Bruce Beckles},
  title        = {Audited credential delegation - a user-centric identity management
                  solution for computational grid environments},
  booktitle    = {Sixth International Conference on Information Assurance and Security,
                  {IAS} 2010, Atlanta, GA, USA, August 23-25, 2010},
  pages        = {222--227},
  publisher    = {{IEEE}},
  year         = {2010},
  url          = {https://doi.org/10.1109/ISIAS.2010.5604067},
  doi          = {10.1109/ISIAS.2010.5604067},
  timestamp    = {Wed, 16 Oct 2019 14:14:55 +0200},
  biburl       = {https://dblp.org/rec/conf/IEEEias/HaidarZCAB10.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/ccgrid/RiedelSRMMSLZMCWK10,
  author       = {Morris Riedel and
                  Bernd Schuller and
                  Michael Rambadt and
                  M. Shahbaz Memon and
                  A. Shiraz Memon and
                  Achim Streit and
                  Thomas Lippert and
                  Stefan J. Zasada and
                  Steven Manos and
                  Peter V. Coveney and
                  Felix Wolf and
                  Dieter Kranzlm{\"{u}}ller},
  title        = {Exploring the Potential of Using Multiple E-science Infrastructures
                  with Emerging Open Standards-Based E-health Research Tools},
  booktitle    = {10th {IEEE/ACM} International Conference on Cluster, Cloud and Grid
                  Computing, CCGrid 2010, 17-20 May 2010, Melbourne, Victoria, Australia},
  pages        = {341--348},
  publisher    = {{IEEE} Computer Society},
  year         = {2010},
  url          = {https://doi.org/10.1109/CCGRID.2010.96},
  doi          = {10.1109/CCGRID.2010.96},
  timestamp    = {Fri, 24 Mar 2023 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/conf/ccgrid/RiedelSRMMSLZMCWK10.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:journals/procedia/ZasadaC10,
  author       = {Stefan J. Zasada and
                  Peter V. Coveney},
  editor       = {Peter M. A. Sloot and
                  G. Dick van Albada and
                  Jack J. Dongarra},
  title        = {Computational biomedicine: The role of workflow tools},
  booktitle    = {Proceedings of the International Conference on Computational Science,
                  {ICCS} 2010, University of Amsterdam, The Netherlands, May 31 - June
                  2, 2010},
  series       = {Procedia Computer Science},
  volume       = {1},
  number       = {1},
  pages        = {2753--2761},
  publisher    = {Elsevier},
  year         = {2010},
  url          = {https://doi.org/10.1016/j.procs.2010.04.309},
  doi          = {10.1016/J.PROCS.2010.04.309},
  timestamp    = {Thu, 08 Jul 2021 14:29:22 +0200},
  biburl       = {https://dblp.org/rec/journals/procedia/ZasadaC10.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/cphysics/ZasadaC09,
  author       = {Stefan J. Zasada and
                  Peter V. Coveney},
  title        = {Virtualizing access to scientific applications with the Application
                  Hosting Environment},
  journal      = {Comput. Phys. Commun.},
  volume       = {180},
  number       = {12},
  pages        = {2513--2525},
  year         = {2009},
  url          = {https://doi.org/10.1016/j.cpc.2009.06.008},
  doi          = {10.1016/J.CPC.2009.06.008},
  timestamp    = {Fri, 21 Feb 2020 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/cphysics/ZasadaC09.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/ijhpca/TrefethenHDC09,
  author       = {Anne E. Trefethen and
                  Nicholas J. Higham and
                  Iain S. Duff and
                  Peter V. Coveney},
  title        = {Developing a High-Performance Computing/Numerical Analysis Roadmap},
  journal      = {Int. J. High Perform. Comput. Appl.},
  volume       = {23},
  number       = {4},
  pages        = {423--426},
  year         = {2009},
  url          = {https://doi.org/10.1177/1094342009347710},
  doi          = {10.1177/1094342009347710},
  timestamp    = {Thu, 12 Mar 2020 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/ijhpca/TrefethenHDC09.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/WanC09,
  author       = {Shunzhou Wan and
                  Peter V. Coveney},
  title        = {A comparative study of the {COX-1} and {COX-2} isozymes bound to lipid
                  membranes},
  journal      = {J. Comput. Chem.},
  volume       = {30},
  number       = {7},
  pages        = {1038--1050},
  year         = {2009},
  url          = {https://doi.org/10.1002/jcc.21130},
  doi          = {10.1002/JCC.21130},
  timestamp    = {Wed, 01 Apr 2020 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcc/WanC09.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/sc/ZasadaC09,
  author       = {Stefan J. Zasada and
                  Peter V. Coveney},
  title        = {From campus resources to federated international grids: bridging the
                  gap with the application hosting environment},
  booktitle    = {Proceedings of the 5th Grid Computing Environments Workshop, {GCE}
                  2009, November 20, 2009, Portland, Oregon, {USA}},
  publisher    = {{ACM}},
  year         = {2009},
  url          = {https://doi.org/10.1145/1658260.1658273},
  doi          = {10.1145/1658260.1658273},
  timestamp    = {Tue, 06 Nov 2018 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/conf/sc/ZasadaC09.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:journals/corr/abs-1001-5050,
  author       = {Ali Nasrat Haidar and
                  Peter V. Coveney and
                  Ali E. Abdallah and
                  Peter Y. A. Ryan and
                  Bruce Beckles and
                  J. M. Brooke and
                  M. A. S. Jones},
  editor       = {Jeremy W. Bryans and
                  John S. Fitzgerald},
  title        = {Formal Modelling of a Usable Identity Management Solution for Virtual
                  Organisations},
  booktitle    = {Proceedings Second Workshop on Formal Aspects of Virtual Organisations,
                  {FAVO} 2009, Eindhoven, The Netherlands, 3rd November 2009},
  series       = {{EPTCS}},
  volume       = {16},
  pages        = {41--50},
  year         = {2009},
  url          = {https://doi.org/10.4204/EPTCS.16.4},
  doi          = {10.4204/EPTCS.16.4},
  timestamp    = {Sat, 19 Oct 2019 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/corr/abs-1001-5050.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/cphysics/MazzeoC08,
  author       = {Marco D. Mazzeo and
                  Peter V. Coveney},
  title        = {HemeLB: {A} high performance parallel lattice-Boltzmann code for large
                  scale fluid flow in complex geometries},
  journal      = {Comput. Phys. Commun.},
  volume       = {178},
  number       = {12},
  pages        = {894--914},
  year         = {2008},
  url          = {https://doi.org/10.1016/j.cpc.2008.02.013},
  doi          = {10.1016/J.CPC.2008.02.013},
  timestamp    = {Fri, 21 Feb 2020 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/cphysics/MazzeoC08.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/ScottMC08,
  author       = {Daniel J. Scott and
                  Steven Manos and
                  Peter V. Coveney},
  title        = {Design of Electroceramic Materials Using Artificial Neural Networks
                  and Multiobjective Evolutionary Algorithms},
  journal      = {J. Chem. Inf. Model.},
  volume       = {48},
  number       = {2},
  pages        = {262--273},
  year         = {2008},
  url          = {https://doi.org/10.1021/ci700269r},
  doi          = {10.1021/CI700269R},
  timestamp    = {Mon, 02 Oct 2023 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcisd/ScottMC08.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/ScottMCRFKPAAZCYES08,
  author       = {Daniel J. Scott and
                  Steven Manos and
                  Peter V. Coveney and
                  Jeremy C. H. Rossiny and
                  Sarah Fearn and
                  John A. Kilner and
                  Robert C. Pullar and
                  Neil Mc N. Alford and
                  A.{-}K. Axelsson and
                  Yong Zhang and
                  Lifeng Chen and
                  Shoufeng Yang and
                  Julian R. G. Evans and
                  M. T. Sebastian},
  title        = {Functional Ceramic Materials Database: An Online Resource for Materials
                  Research},
  journal      = {J. Chem. Inf. Model.},
  volume       = {48},
  number       = {2},
  pages        = {449--455},
  year         = {2008},
  url          = {https://doi.org/10.1021/ci700270v},
  doi          = {10.1021/CI700270V},
  timestamp    = {Tue, 06 Dec 2022 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/jcisd/ScottMCRFKPAAZCYES08.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/SadiqWWZSC08,
  author       = {S. Kashif Sadiq and
                  David W. Wright and
                  Simon J. Watson and
                  Stefan J. Zasada and
                  Ileana Stoica and
                  Peter V. Coveney},
  title        = {Automated Molecular Simulation Based Binding Affinity Calculator for
                  Ligand-Bound {HIV-1} Proteases},
  journal      = {J. Chem. Inf. Model.},
  volume       = {48},
  number       = {9},
  pages        = {1909--1919},
  year         = {2008},
  url          = {https://doi.org/10.1021/ci8000937},
  doi          = {10.1021/CI8000937},
  timestamp    = {Sun, 12 Nov 2023 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/jcisd/SadiqWWZSC08.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/healthgrid/SlootCBVNVB08,
  author       = {Peter M. A. Sloot and
                  Peter V. Coveney and
                  Marian Bubak and
                  Anne{-}Mieke Vandamme and
                  Breannd{\'{a}}n {\'{O}} Nuall{\'{a}}in and
                  David A. van de Vijver and
                  Charles A. Boucher},
  editor       = {Tony Solomonides and
                  Jonathan C. Silverstein and
                  Joel H. Saltz and
                  Yannick Legr{\'{e}} and
                  Mary Kratz and
                  Ian T. Foster and
                  Vincent Breton and
                  J. Robert Beck},
  title        = {Multi-Science Decision Support for {HIV} Drug Resistance Treatment},
  booktitle    = {Global Healthgrid: e-Science Meets Biomedical Informatics - Proceedings
                  of HealthGrid 2008, Chicago, IL, USA, 2-4 June, 2008},
  series       = {Studies in Health Technology and Informatics},
  volume       = {138},
  pages        = {188--198},
  publisher    = {{IOS} Press},
  year         = {2008},
  url          = {http://www.booksonline.iospress.nl/Content/View.aspx?piid=9171},
  timestamp    = {Sat, 11 Oct 2014 19:00:55 +0200},
  biburl       = {https://dblp.org/rec/conf/healthgrid/SlootCBVNVB08.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/hpdc/ManosMKCKT08,
  author       = {Steven Manos and
                  Marco D. Mazzeo and
                  Owain Kenway and
                  Peter V. Coveney and
                  Nicholas T. Karonis and
                  Brian R. Toonen},
  editor       = {Manish Parashar and
                  Karsten Schwan and
                  Jon B. Weissman and
                  Domenico Laforenza},
  title        = {Distributed mpi cross-site run performance using mpig},
  booktitle    = {Proceedings of the 17th International Symposium on High-Performance
                  Distributed Computing {(HPDC-17} 2008), 23-27 June 2008, Boston, MA,
                  {USA}},
  pages        = {229--230},
  publisher    = {{ACM}},
  year         = {2008},
  url          = {https://doi.org/10.1145/1383422.1383459},
  doi          = {10.1145/1383422.1383459},
  timestamp    = {Tue, 06 Nov 2018 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/conf/hpdc/ManosMKCKT08.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/ercim/ZasadaGMC08,
  author       = {Stefan J. Zasada and
                  C. V. Gale and
                  Steven Manos and
                  Peter V. Coveney},
  title        = {Supercomputing in Clinical Practice},
  journal      = {{ERCIM} News},
  volume       = {2008},
  number       = {74},
  year         = {2008},
  url          = {http://ercim-news.ercim.eu/supercomputing-in-clinical-practice},
  timestamp    = {Wed, 22 May 2019 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/ercim/ZasadaGMC08.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/cluster/BoghosianCDFJKK07,
  author       = {Bruce M. Boghosian and
                  Peter V. Coveney and
                  Suchuan Dong and
                  Lucas Finn and
                  Shantenu Jha and
                  George E. Karniadakis and
                  Nicholas T. Karonis},
  title        = {NEKTAR, {SPICE} and Vortonics: using federated grids for large scale
                  scientific applications},
  journal      = {Clust. Comput.},
  volume       = {10},
  number       = {3},
  pages        = {351--364},
  year         = {2007},
  url          = {https://doi.org/10.1007/s10586-007-0029-4},
  doi          = {10.1007/S10586-007-0029-4},
  timestamp    = {Tue, 21 Mar 2023 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/cluster/BoghosianCDFJKK07.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/cphysics/CoveneySZMP07,
  author       = {Peter V. Coveney and
                  R. S. Saksena and
                  Stefan J. Zasada and
                  Mark McKeown and
                  Stephen Pickles},
  title        = {The application hosting environment: Lightweight middleware for grid-based
                  computational science},
  journal      = {Comput. Phys. Commun.},
  volume       = {176},
  number       = {6},
  pages        = {406--418},
  year         = {2007},
  url          = {https://doi.org/10.1016/j.cpc.2006.11.011},
  doi          = {10.1016/J.CPC.2006.11.011},
  timestamp    = {Fri, 21 Feb 2020 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/cphysics/CoveneySZMP07.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/hci/ClapworthyKGTVHPFMLJWC07,
  author       = {Gordon Clapworthy and
                  Peter Kohl and
                  Hans Gregerson and
                  S. R. Thomas and
                  Marco Viceconti and
                  D. Rodney Hose and
                  D. Pinney and
                  John Fenner and
                  Keith M. McCormack and
                  Patricia V. Lawford and
                  Serge L. Van Sint Jan and
                  S. Waters and
                  Peter V. Coveney},
  editor       = {Vincent G. Duffy},
  title        = {Digital Human Modelling: {A} Global Vision and a European Perspective},
  booktitle    = {Digital Human Modeling, First International Conference on Digital
                  Human Modeling, {ICDHM} 2007, Held as Part of {HCI} International
                  2007, Beijing, China, July 22-27, 2007, Proceedings},
  series       = {Lecture Notes in Computer Science},
  volume       = {4561},
  pages        = {549--558},
  publisher    = {Springer},
  year         = {2007},
  url          = {https://doi.org/10.1007/978-3-540-73321-8\_63},
  doi          = {10.1007/978-3-540-73321-8\_63},
  timestamp    = {Tue, 14 May 2019 10:00:43 +0200},
  biburl       = {https://dblp.org/rec/conf/hci/ClapworthyKGTVHPFMLJWC07.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/cphysics/CoveneyFHPP06,
  author       = {Peter V. Coveney and
                  Gianni De Fabritiis and
                  Matt J. Harvey and
                  Stephen Pickles and
                  Andrew R. Porter},
  title        = {Coupled applications on distributed resources},
  journal      = {Comput. Phys. Commun.},
  volume       = {175},
  number       = {6},
  pages        = {389--396},
  year         = {2006},
  url          = {https://doi.org/10.1016/j.cpc.2006.05.008},
  doi          = {10.1016/J.CPC.2006.05.008},
  timestamp    = {Mon, 17 Apr 2023 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/cphysics/CoveneyFHPP06.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/HarveySC06,
  author       = {Matt J. Harvey and
                  Daniel J. Scott and
                  Peter V. Coveney},
  title        = {An Integrated Instrument Control and Informatics System for Combinatorial
                  Materials Research},
  journal      = {J. Chem. Inf. Model.},
  volume       = {46},
  number       = {3},
  pages        = {1026--1033},
  year         = {2006},
  url          = {https://doi.org/10.1021/ci050399g},
  doi          = {10.1021/CI050399G},
  timestamp    = {Sun, 01 Oct 2023 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcisd/HarveySC06.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/mcs/GiupponiC06,
  author       = {Giovanni Giupponi and
                  Peter V. Coveney},
  title        = {Non-Newtonian behaviour of the gyroid mesophase: {A} lattice-Boltzmann
                  study},
  journal      = {Math. Comput. Simul.},
  volume       = {72},
  number       = {2-6},
  pages        = {124--127},
  year         = {2006},
  url          = {https://doi.org/10.1016/j.matcom.2006.05.035},
  doi          = {10.1016/J.MATCOM.2006.05.035},
  timestamp    = {Thu, 20 Apr 2023 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/mcs/GiupponiC06.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/mcs/SerranoFEC06,
  author       = {Mar Serrano and
                  Gianni De Fabritiis and
                  Pep Espa{\~{n}}ol and
                  Peter V. Coveney},
  title        = {A stochastic Trotter integration scheme for dissipative particle dynamics},
  journal      = {Math. Comput. Simul.},
  volume       = {72},
  number       = {2-6},
  pages        = {190--194},
  year         = {2006},
  url          = {https://doi.org/10.1016/j.matcom.2006.05.019},
  doi          = {10.1016/J.MATCOM.2006.05.019},
  timestamp    = {Thu, 14 Oct 2021 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/mcs/SerranoFEC06.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/clade/BoghosianCDFJKK06,
  author       = {Bruce M. Boghosian and
                  Peter V. Coveney and
                  Suchuan Dong and
                  Lucas Finn and
                  Shantenu Jha and
                  George E. Karniadakis and
                  Nicholas T. Karonis},
  title        = {NEKTAR, {SPICE} and Vortonics: using federated grids for large scale
                  scientific applications},
  booktitle    = {2006 {IEEE} Challenges of Large Applications in Distributed Environments,
                  CLADE@HPDC 2006, Paris, France, June 19, 2006},
  pages        = {34--42},
  publisher    = {{IEEE} Computer Society},
  year         = {2006},
  url          = {https://doi.org/10.1109/CLADE.2006.1652052},
  doi          = {10.1109/CLADE.2006.1652052},
  timestamp    = {Wed, 16 Oct 2019 14:14:54 +0200},
  biburl       = {https://dblp.org/rec/conf/clade/BoghosianCDFJKK06.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/complife/SadiqZC06,
  author       = {S. Kashif Sadiq and
                  Stefan J. Zasada and
                  Peter V. Coveney},
  editor       = {Michael R. Berthold and
                  Robert C. Glen and
                  Ingrid Fischer},
  title        = {Grid Assisted Ensemble Molecular Dynamics Simulations of {HIV-1} Proteases
                  Reveal Novel Conformations of the Inhibitor Saquinavir},
  booktitle    = {Computational Life Sciences II, Second International Symposium, CompLife
                  2006, Cambridge, UK, September 27-29, 2006, Proceedings},
  series       = {Lecture Notes in Computer Science},
  volume       = {4216},
  pages        = {150--161},
  publisher    = {Springer},
  year         = {2006},
  url          = {https://doi.org/10.1007/11875741\_15},
  doi          = {10.1007/11875741\_15},
  timestamp    = {Tue, 14 May 2019 10:00:36 +0200},
  biburl       = {https://dblp.org/rec/conf/complife/SadiqZC06.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/eScience/HarveyJTC06,
  author       = {Matt J. Harvey and
                  Shantenu Jha and
                  Mary{-}Ann Thyveetil and
                  Peter V. Coveney},
  title        = {Using Lambda Networks to Enhance Performance of Interactive Large
                  Simulations},
  booktitle    = {Second International Conference on e-Science and Grid Technologies
                  (e-Science 2006), 4-6 December 2006, Amsterdam, The Netherlands},
  pages        = {40},
  publisher    = {{IEEE} Computer Society},
  year         = {2006},
  url          = {https://doi.org/10.1109/E-SCIENCE.2006.261124},
  doi          = {10.1109/E-SCIENCE.2006.261124},
  timestamp    = {Fri, 24 Mar 2023 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/conf/eScience/HarveyJTC06.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/eScience/ZasadaSCKP06,
  author       = {Stefan J. Zasada and
                  R. S. Saksena and
                  Peter V. Coveney and
                  Mark McKeown and
                  Stephen Pickles},
  title        = {Facilitating User Access to the Grid: {A} Lightweight Application
                  Hosting Environment for Grid Enabled Computational Science},
  booktitle    = {Second International Conference on e-Science and Grid Technologies
                  (e-Science 2006), 4-6 December 2006, Amsterdam, The Netherlands},
  pages        = {50},
  publisher    = {{IEEE} Computer Society},
  year         = {2006},
  url          = {https://doi.org/10.1109/E-SCIENCE.2006.261134},
  doi          = {10.1109/E-SCIENCE.2006.261134},
  timestamp    = {Fri, 24 Mar 2023 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/conf/eScience/ZasadaSCKP06.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/cphysics/HartingHCC05,
  author       = {Jens Harting and
                  Matt J. Harvey and
                  Jonathan Chin and
                  Peter V. Coveney},
  title        = {Detection and tracking of defects in the gyroid mesophase},
  journal      = {Comput. Phys. Commun.},
  volume       = {165},
  number       = {2},
  pages        = {97--109},
  year         = {2005},
  url          = {https://doi.org/10.1016/j.cpc.2004.10.001},
  doi          = {10.1016/J.CPC.2004.10.001},
  timestamp    = {Fri, 21 Feb 2020 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/cphysics/HartingHCC05.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/cse/BoghosianC05,
  author       = {Bruce M. Boghosian and
                  Peter V. Coveney},
  title        = {Guest Editors' Introduction: Scientific Applications of Grid Computing},
  journal      = {Comput. Sci. Eng.},
  volume       = {7},
  number       = {5},
  pages        = {10--13},
  year         = {2005},
  url          = {https://doi.org/10.1109/MCSE.2005.95},
  doi          = {10.1109/MCSE.2005.95},
  timestamp    = {Tue, 16 Aug 2022 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/cse/BoghosianC05.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/cse/ChinHJC05,
  author       = {Jonathan Chin and
                  Matthew J. Harvey and
                  Shantenu Jha and
                  Peter V. Coveney},
  title        = {Scientific grid computing: the first generation},
  journal      = {Comput. Sci. Eng.},
  volume       = {7},
  number       = {5},
  pages        = {24--32},
  year         = {2005},
  url          = {https://doi.org/10.1109/MCSE.2005.100},
  doi          = {10.1109/MCSE.2005.100},
  timestamp    = {Tue, 21 Mar 2023 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/cse/ChinHJC05.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/cse/BoghosianC05a,
  author       = {Bruce M. Boghosian and
                  Peter V. Coveney},
  title        = {Guest Editors' Introduction: Scientific Applications of Grid Computing,
                  Part {II}},
  journal      = {Comput. Sci. Eng.},
  volume       = {7},
  number       = {6},
  pages        = {10--11},
  year         = {2005},
  url          = {https://doi.org/10.1109/MCSE.2005.123},
  doi          = {10.1109/MCSE.2005.123},
  timestamp    = {Tue, 16 Aug 2022 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/cse/BoghosianC05a.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/JhaCL05,
  author       = {Shantenu Jha and
                  Peter V. Coveney and
                  Charles A. Laughton},
  title        = {Force field validation for nucleic acid simulations: Comparing energies
                  and dynamics of a {DNA} dodecamer},
  journal      = {J. Comput. Chem.},
  volume       = {26},
  number       = {15},
  pages        = {1617--1627},
  year         = {2005},
  url          = {https://doi.org/10.1002/jcc.20300},
  doi          = {10.1002/JCC.20300},
  timestamp    = {Tue, 21 Mar 2023 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/jcc/JhaCL05.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/sp/BlakeCCP05,
  author       = {R. J. Blake and
                  Peter V. Coveney and
                  P. Clarke and
                  Stephen Pickles},
  title        = {The TeraGyroid experiment - Supercomputing 2003},
  journal      = {Sci. Program.},
  volume       = {13},
  number       = {1},
  pages        = {1--17},
  year         = {2005},
  url          = {https://doi.org/10.1155/2005/435602},
  doi          = {10.1155/2005/435602},
  timestamp    = {Thu, 30 Jul 2020 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/sp/BlakeCCP05.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/sc/JhaCH05,
  author       = {Shantenu Jha and
                  Peter V. Coveney and
                  Matt J. Harvey},
  title        = {{SPICE:} Simulated Pore Interactive Computing Environment},
  booktitle    = {Proceedings of the {ACM/IEEE} {SC2005} Conference on High Performance
                  Networking and Computing, November 12-18, 2005, Seattle, WA, USA,
                  CD-Rom},
  pages        = {70},
  publisher    = {{IEEE} Computer Society},
  year         = {2005},
  url          = {https://doi.org/10.1109/SC.2005.65},
  doi          = {10.1109/SC.2005.65},
  timestamp    = {Fri, 24 Mar 2023 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/conf/sc/JhaCH05.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/corr/abs-cs-0501021,
  author       = {Jens Harting and
                  Jonathan Chin and
                  Maddalena Venturoli and
                  Peter V. Coveney},
  title        = {Large-scale lattice Boltzmann simulations of complex fluids: advances
                  through the advent of computational grids},
  journal      = {CoRR},
  volume       = {abs/cs/0501021},
  year         = {2005},
  url          = {http://arxiv.org/abs/cs/0501021},
  eprinttype    = {arXiv},
  eprint       = {cs/0501021},
  timestamp    = {Mon, 13 Aug 2018 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/corr/abs-cs-0501021.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/cse/ChinCJ04,
  author       = {Jonathan Chin and
                  Peter V. Coveney and
                  Shantenu Jha},
  title        = {The Current State of the Grid},
  journal      = {Comput. Sci. Eng.},
  volume       = {6},
  number       = {5},
  pages        = {75--77},
  year         = {2004},
  url          = {https://doi.org/10.1109/mcse.2004.43},
  doi          = {10.1109/MCSE.2004.43},
  timestamp    = {Mon, 28 Aug 2023 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/cse/ChinCJ04.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/WanCF04,
  author       = {Shunzhou Wan and
                  Peter V. Coveney and
                  Darren R. Flower},
  title        = {Large-scale molecular dynamics simulations of HLA-A*0201 complexed
                  with a tumor-specific antigenic peptide: Can the {\(\alpha\)}3 and
                  {\(\beta\)}2m domains be neglected?},
  journal      = {J. Comput. Chem.},
  volume       = {25},
  number       = {15},
  pages        = {1803--1813},
  year         = {2004},
  url          = {https://doi.org/10.1002/jcc.20100},
  doi          = {10.1002/JCC.20100},
  timestamp    = {Wed, 16 Mar 2022 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/jcc/WanCF04.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/informaticaSI/ClementCJM99,
  author       = {B. E. P. Clement and
                  Peter V. Coveney and
                  M. Jessel and
                  Peter J. Marcer},
  title        = {The Brain as a Huygens Machine},
  journal      = {Informatica (Slovenia)},
  volume       = {23},
  number       = {3},
  year         = {1999},
  timestamp    = {Tue, 27 Jun 2017 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/informaticaSI/ClementCJM99.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/aim/CoveneyFH96,
  author       = {Peter V. Coveney and
                  Philip Fletcher and
                  Trevor L. Hughes},
  title        = {Using Artificial Neural Networks to Predict the Quality and Performance
                  of Oil-Field Cements},
  journal      = {{AI} Mag.},
  volume       = {17},
  number       = {4},
  pages        = {41--53},
  year         = {1996},
  url          = {https://doi.org/10.1609/aimag.v17i4.1239},
  doi          = {10.1609/AIMAG.V17I4.1239},
  timestamp    = {Tue, 25 Aug 2020 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/aim/CoveneyFH96.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/aaai/CoveneyHF96,
  author       = {Peter V. Coveney and
                  Trevor L. Hughes and
                  Philip Fletcher},
  editor       = {William J. Clancey and
                  Daniel S. Weld},
  title        = {Using Artificial Neural Networks to Predict the Quality and Performance
                  of Oilfield Cements},
  booktitle    = {Proceedings of the Thirteenth National Conference on Artificial Intelligence
                  and Eighth Innovative Applications of Artificial Intelligence Conference,
                  {AAAI} 96, {IAAI} 96, Portland, Oregon, USA, August 4-8, 1996, Volume
                  2},
  pages        = {1471--1481},
  publisher    = {{AAAI} Press / The {MIT} Press},
  year         = {1996},
  url          = {http://www.aaai.org/Library/IAAI/1996/iaai96-275.php},
  timestamp    = {Tue, 05 Sep 2023 08:53:09 +0200},
  biburl       = {https://dblp.org/rec/conf/aaai/CoveneyHF96.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
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