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ORCIDBibTeX records: Rajiv K. Kalia
@inproceedings{DBLP:conf/supercomputer/IbayashiRYLOHLKNNV23,
author = {Hikaru Ibayashi and
Taufeq Mohammed Razakh and
Liqiu Yang and
Thomas Linker and
Marco Olguin and
Shinnosuke Hattori and
Ye Luo and
Rajiv K. Kalia and
Aiichiro Nakano and
Ken{-}ichi Nomura and
Priya Vashishta},
editor = {Abhinav Bhatele and
Jeff R. Hammond and
Marc Baboulin and
Carola Kruse},
title = {Allegro-Legato: Scalable, Fast, and Robust Neural-Network Quantum
Molecular Dynamics via Sharpness-Aware Minimization},
booktitle = {High Performance Computing - 38th International Conference, {ISC}
High Performance 2023, Hamburg, Germany, May 21-25, 2023, Proceedings},
series = {Lecture Notes in Computer Science},
volume = {13948},
pages = {223--239},
publisher = {Springer},
year = {2023},
url = {https://doi.org/10.1007/978-3-031-32041-5\_12},
doi = {10.1007/978-3-031-32041-5\_12},
timestamp = {Sat, 13 May 2023 16:51:19 +0200},
biburl = {https://dblp.org/rec/conf/supercomputer/IbayashiRYLOHLKNNV23.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/corr/abs-2303-08169,
author = {Hikaru Ibayashi and
Taufeq Mohammed Razakh and
Liqiu Yang and
Thomas Linker and
Marco Olguin and
Shinnosuke Hattori and
Ye Luo and
Rajiv K. Kalia and
Aiichiro Nakano and
Ken{-}ichi Nomura and
Priya Vashishta},
title = {Allegro-Legato: Scalable, Fast, and Robust Neural-Network Quantum
Molecular Dynamics via Sharpness-Aware Minimization},
journal = {CoRR},
volume = {abs/2303.08169},
year = {2023},
url = {https://doi.org/10.48550/arXiv.2303.08169},
doi = {10.48550/ARXIV.2303.08169},
eprinttype = {arXiv},
eprint = {2303.08169},
timestamp = {Mon, 20 Mar 2023 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/corr/abs-2303-08169.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/WangJNNVKS22,
author = {Beibei Wang and
Shane Jackson and
Aiichiro Nakano and
Ken{-}ichi Nomura and
Priya Vashishta and
Rajiv K. Kalia and
Mark Stevens},
title = {Neural Network for Principle of Least Action},
journal = {J. Chem. Inf. Model.},
volume = {62},
number = {14},
pages = {3346--3351},
year = {2022},
url = {https://doi.org/10.1021/acs.jcim.2c00515},
doi = {10.1021/ACS.JCIM.2C00515},
timestamp = {Mon, 28 Aug 2023 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/WangJNNVKS22.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/corr/abs-2212-02251,
author = {Kuang Liu and
Rajiv K. Kalia and
Xinlian Liu and
Aiichiro Nakano and
Ken{-}ichi Nomura and
Priya Vashishta and
Rafael Zamora{-}Resendiz},
title = {Multiscale Graph Neural Networks for Protein Residue Contact Map Prediction},
journal = {CoRR},
volume = {abs/2212.02251},
year = {2022},
url = {https://doi.org/10.48550/arXiv.2212.02251},
doi = {10.48550/ARXIV.2212.02251},
eprinttype = {arXiv},
eprint = {2212.02251},
timestamp = {Thu, 08 Dec 2022 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/corr/abs-2212-02251.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/NazarovaYLMKNNV21,
author = {Antonina L. Nazarova and
Liqiu Yang and
Kuang Liu and
Ankit Mishra and
Rajiv K. Kalia and
Ken{-}ichi Nomura and
Aiichiro Nakano and
Priya Vashishta and
Pankaj Rajak},
title = {Dielectric Polymer Property Prediction Using Recurrent Neural Networks
with Optimizations},
journal = {J. Chem. Inf. Model.},
volume = {61},
number = {5},
pages = {2175--2186},
year = {2021},
url = {https://doi.org/10.1021/acs.jcim.0c01366},
doi = {10.1021/ACS.JCIM.0C01366},
timestamp = {Sun, 02 Oct 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/NazarovaYLMKNNV21.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/softx/PowersBLNGKNV21,
author = {Connor Powers and
Lindsay Bassman and
Thomas Linker and
Ken{-}ichi Nomura and
Sahil Gulania and
Rajiv K. Kalia and
Aiichiro Nakano and
Priya Vashishta},
title = {{MISTIQS:} An open-source software for performing quantum dynamics
simulations on quantum computers},
journal = {SoftwareX},
volume = {14},
pages = {100696},
year = {2021},
url = {https://doi.org/10.1016/j.softx.2021.100696},
doi = {10.1016/J.SOFTX.2021.100696},
timestamp = {Mon, 28 Aug 2023 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/softx/PowersBLNGKNV21.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/softx/RazakhWJKNNV21,
author = {Taufeq Mohammed Razakh and
Beibei Wang and
Shane Jackson and
Rajiv K. Kalia and
Aiichiro Nakano and
Ken{-}ichi Nomura and
Priya Vashishta},
title = {{PND:} Physics-informed neural-network software for molecular dynamics
applications},
journal = {SoftwareX},
volume = {15},
pages = {100789},
year = {2021},
url = {https://doi.org/10.1016/j.softx.2021.100789},
doi = {10.1016/J.SOFTX.2021.100789},
timestamp = {Mon, 26 Sep 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/softx/RazakhWJKNNV21.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/ipps/RajakAFKLLLNNSS21,
author = {Pankaj Rajak and
Anikeya Aditya and
Shogo Fukushima and
Rajiv K. Kalia and
Thomas Linker and
Kuang Liu and
Ye Luo and
Aiichiro Nakano and
Ken{-}ichi Nomura and
Kohei Shimamura and
Fuyuki Shimojo and
Priya Vashishta},
title = {Ex-NNQMD: Extreme-Scale Neural Network Quantum Molecular Dynamics},
booktitle = {{IEEE} International Parallel and Distributed Processing Symposium
Workshops, {IPDPS} Workshops 2021, Portland, OR, USA, June 17-21,
2021},
pages = {943--946},
publisher = {{IEEE}},
year = {2021},
url = {https://doi.org/10.1109/IPDPSW52791.2021.00145},
doi = {10.1109/IPDPSW52791.2021.00145},
timestamp = {Sun, 02 Oct 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/conf/ipps/RajakAFKLLLNNSS21.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/cphysics/KrishnamoorthyM20,
author = {Aravind Krishnamoorthy and
Ankit Mishra and
Nicholas Grabar and
Nitish Baradwaj and
Rajiv K. Kalia and
Aiichiro Nakano and
Priya Vashishta},
title = {Evolutionary multi-objective optimization and Pareto-frontal uncertainty
quantification of interatomic forcefields for thermal conductivity
simulations},
journal = {Comput. Phys. Commun.},
volume = {254},
pages = {107337},
year = {2020},
url = {https://doi.org/10.1016/j.cpc.2020.107337},
doi = {10.1016/J.CPC.2020.107337},
timestamp = {Thu, 06 Aug 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/cphysics/KrishnamoorthyM20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/softx/NomuraKNRV20,
author = {Ken{-}ichi Nomura and
Rajiv K. Kalia and
Aiichiro Nakano and
Pankaj Rajak and
Priya Vashishta},
title = {{RXMD:} {A} scalable reactive molecular dynamics simulator for optimized
time-to-solution},
journal = {SoftwareX},
volume = {11},
pages = {100389},
year = {2020},
url = {https://doi.org/10.1016/j.softx.2019.100389},
doi = {10.1016/J.SOFTX.2019.100389},
timestamp = {Mon, 04 Jan 2021 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/softx/NomuraKNRV20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/hpcasia/TiwariKRSKSFNLK20,
author = {Subodh C. Tiwari and
Aravind Krishnamoorthy and
Pankaj Rajak and
Putt Sakdhnagool and
Manaschai Kunaseth and
Fuyuki Shimojo and
Shogo Fukushima and
Aiichiro Nakano and
Ye Luo and
Rajiv K. Kalia and
Ken{-}ichi Nomura and
Priya Vashishta},
title = {Quantum Dynamics at Scale: Ultrafast Control of Emergent Functional
Materials},
booktitle = {Proceedings of the International Conference on High Performance Computing
in Asia-Pacific Region, {HPC} Asia 2020, Fukuoka, Japan, January 15-17,
2020},
pages = {1--10},
publisher = {{ACM}},
year = {2020},
url = {https://doi.org/10.1145/3368474.3368489},
doi = {10.1145/3368474.3368489},
timestamp = {Sun, 02 Oct 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/conf/hpcasia/TiwariKRSKSFNLK20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/ipps/RajakLKKNNTV20,
author = {Pankaj Rajak and
Kuang Liu and
Aravind Krishnamoorthy and
Rajiv K. Kalia and
Aiichiro Nakano and
Ken{-}ichi Nomura and
Subodh C. Tiwari and
Priya Vashishta},
title = {Neural Network Molecular Dynamics at Scale},
booktitle = {2020 {IEEE} International Parallel and Distributed Processing Symposium
Workshops, {IPDPSW} 2020, New Orleans, LA, USA, May 18-22, 2020},
pages = {991--994},
publisher = {{IEEE}},
year = {2020},
url = {https://doi.org/10.1109/IPDPSW50202.2020.00167},
doi = {10.1109/IPDPSW50202.2020.00167},
timestamp = {Sun, 02 Oct 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/conf/ipps/RajakLKKNNTV20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/corr/abs-2009-06739,
author = {Pankaj Rajak and
Aravind Krishnamoorthy and
Ankit Mishra and
Rajiv K. Kalia and
Aiichiro Nakano and
Priya Vashishta},
title = {Predictive Synthesis of Quantum Materials by Probabilistic Reinforcement
Learning},
journal = {CoRR},
volume = {abs/2009.06739},
year = {2020},
url = {https://arxiv.org/abs/2009.06739},
eprinttype = {arXiv},
eprint = {2009.06739},
timestamp = {Fri, 18 Sep 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/corr/abs-2009-06739.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/corr/abs-2011-03490,
author = {Taufeq Mohammed Razakh and
Beibei Wang and
Shane Jackson and
Rajiv K. Kalia and
Aiichiro Nakano and
Ken{-}ichi Nomura and
Priya Vashishta},
title = {Physics-informed Neural-Network Software for Molecular Dynamics Applications},
journal = {CoRR},
volume = {abs/2011.03490},
year = {2020},
url = {https://arxiv.org/abs/2011.03490},
eprinttype = {arXiv},
eprint = {2011.03490},
timestamp = {Thu, 12 Nov 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/corr/abs-2011-03490.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/cse/LiNIMKRGKNV19,
author = {Ying Li and
Ken{-}ichi Nomura and
Joseph A. Insley and
Vitali A. Morozov and
Kalyan Kumaran and
Nichols A. Romero and
William A. Goddard and
Rajiv K. Kalia and
Aiichiro Nakano and
Priya Vashishta},
title = {Scalable Reactive Molecular Dynamics Simulations for Computational
Synthesis},
journal = {Comput. Sci. Eng.},
volume = {21},
number = {5},
pages = {64--75},
year = {2019},
url = {https://doi.org/10.1109/MCSE.2018.110150043},
doi = {10.1109/MCSE.2018.110150043},
timestamp = {Tue, 16 Aug 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/cse/LiNIMKRGKNV19.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/softx/HortonKMNNQVH19,
author = {Brandon K. Horton and
Rajiv K. Kalia and
Erick Moen and
Aiichiro Nakano and
Ken{-}ichi Nomura and
Michael Qian and
Priya Vashishta and
Anders Hafreager},
title = {Game-Engine-Assisted Research platform for Scientific computing {(GEARS)}
in Virtual Reality},
journal = {SoftwareX},
volume = {9},
pages = {112--116},
year = {2019},
url = {https://doi.org/10.1016/j.softx.2019.01.009},
doi = {10.1016/J.SOFTX.2019.01.009},
timestamp = {Sun, 02 Oct 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/softx/HortonKMNNQVH19.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/softx/ShimojoFKMORSBT19,
author = {Fuyuki Shimojo and
Shogo Fukushima and
Hiroyuki Kumazoe and
Masaaki Misawa and
Satoshi Ohmura and
Pankaj Rajak and
Kohei Shimamura and
Lindsay Bassman Oftelie and
Subodh Tiwari and
Rajiv K. Kalia and
Aiichiro Nakano and
Priya Vashishta},
title = {{QXMD:} An open-source program for nonadiabatic quantum molecular
dynamics},
journal = {SoftwareX},
volume = {10},
pages = {100307},
year = {2019},
url = {https://doi.org/10.1016/j.softx.2019.100307},
doi = {10.1016/J.SOFTX.2019.100307},
timestamp = {Thu, 14 Sep 2023 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/softx/ShimojoFKMORSBT19.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/hpcasia/SmallLTKNNV18,
author = {Patrick E. Small and
Kuang Liu and
Subodh Tiwari and
Rajiv K. Kalia and
Aiichiro Nakano and
Ken{-}ichi Nomura and
Priya Vashishta},
title = {Acceleration of Dynamic n-Tuple Computations in Many-Body Molecular
Dynamics},
booktitle = {Proceedings of the International Conference on High Performance Computing
in Asia-Pacific Region, {HPC} Asia 2018, Chiyoda, Tokyo, Japan, January
28-31, 2018},
pages = {159--170},
publisher = {{ACM}},
year = {2018},
url = {https://doi.org/10.1145/3149457.3149463},
doi = {10.1145/3149457.3149463},
timestamp = {Sun, 02 Oct 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/conf/hpcasia/SmallLTKNNV18.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/cphysics/ByunEKNV17,
author = {Hye Suk Byun and
Mohamed Y. El{-}Naggar and
Rajiv K. Kalia and
Aiichiro Nakano and
Priya Vashishta},
title = {A derivation and scalable implementation of the synchronous parallel
kinetic Monte Carlo method for simulating long-time dynamics},
journal = {Comput. Phys. Commun.},
volume = {219},
pages = {246--254},
year = {2017},
url = {https://doi.org/10.1016/j.cpc.2017.05.028},
doi = {10.1016/J.CPC.2017.05.028},
timestamp = {Fri, 21 Feb 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/cphysics/ByunEKNV17.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/ipps/SmallKNV16,
author = {Patrick E. Small and
Rajiv K. Kalia and
Aiichiro Nakano and
Priya Vashishta},
title = {Order-Invariant Real Number Summation: Circumventing Accuracy Loss
for Multimillion Summands on Multiple Parallel Architectures},
booktitle = {2016 {IEEE} International Parallel and Distributed Processing Symposium,
{IPDPS} 2016, Chicago, IL, USA, May 23-27, 2016},
pages = {152--160},
publisher = {{IEEE} Computer Society},
year = {2016},
url = {https://doi.org/10.1109/IPDPS.2016.41},
doi = {10.1109/IPDPS.2016.41},
timestamp = {Fri, 24 Mar 2023 00:00:00 +0100},
biburl = {https://dblp.org/rec/conf/ipps/SmallKNV16.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/springsim/ChengRSKNV16,
author = {Ho Ching Cheng and
Pankaj Rajak and
Chunyang Sheng and
Rajiv K. Kalia and
Aiichiro Nakano and
Priya Vashishta},
editor = {Josef Weinbub and
Marc Baboulin and
William I. Thacker and
Luk{\'{a}}s Polok},
title = {A high-throughput multiobjective genetic-algorithm workflow for \emph{in
situ} training of reactive molecular-dynamics force fields},
booktitle = {Proceedings of the 24th High Performance Computing Symposium, Pasadena,
{HPC} 2016, part of the 2016 Spring Simulation Multiconference, SpringSim
'16, CA, USA, April 3-6, 2016},
pages = {2},
publisher = {{ACM}},
year = {2016},
url = {http://dl.acm.org/citation.cfm?id=2972971},
timestamp = {Mon, 12 Dec 2016 09:57:49 +0100},
biburl = {https://dblp.org/rec/conf/springsim/ChengRSKNV16.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/computer/RomeroNRSKVM15,
author = {Nichols A. Romero and
Aiichiro Nakano and
Katherine Riley and
Fuyuki Shimojo and
Rajiv K. Kalia and
Priya Vashishta and
Paul C. Messina},
title = {Quantum Molecular Dynamics in the Post-Petaflops Era},
journal = {Computer},
volume = {48},
number = {11},
pages = {33--41},
year = {2015},
url = {https://doi.org/10.1109/MC.2015.337},
doi = {10.1109/MC.2015.337},
timestamp = {Wed, 12 Aug 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/computer/RomeroNRSKVM15.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/cphysics/NomuraSKNV15,
author = {Ken{-}ichi Nomura and
Patrick E. Small and
Rajiv K. Kalia and
Aiichiro Nakano and
Priya Vashishta},
title = {An extended-Lagrangian scheme for charge equilibration in reactive
molecular dynamics simulations},
journal = {Comput. Phys. Commun.},
volume = {192},
pages = {91--96},
year = {2015},
url = {https://doi.org/10.1016/j.cpc.2015.02.023},
doi = {10.1016/J.CPC.2015.02.023},
timestamp = {Fri, 21 Feb 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/cphysics/NomuraSKNV15.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/sc/NomuraKNVSSKMR14,
author = {Ken{-}ichi Nomura and
Rajiv K. Kalia and
Aiichiro Nakano and
Priya Vashishta and
Kohei Shimamura and
Fuyuki Shimojo and
Manaschai Kunaseth and
Paul C. Messina and
Nichols A. Romero},
editor = {Trish Damkroger and
Jack J. Dongarra},
title = {Metascalable Quantum Molecular Dynamics Simulations of Hydrogen-on-Demand},
booktitle = {International Conference for High Performance Computing, Networking,
Storage and Analysis, {SC} 2014, New Orleans, LA, USA, November 16-21,
2014},
pages = {661--673},
publisher = {{IEEE} Computer Society},
year = {2014},
url = {https://doi.org/10.1109/SC.2014.59},
doi = {10.1109/SC.2014.59},
timestamp = {Fri, 24 Mar 2023 00:00:00 +0100},
biburl = {https://dblp.org/rec/conf/sc/NomuraKNVSSKMR14.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/cphysics/ShimojoOMKNV13,
author = {Fuyuki Shimojo and
Satoshi Ohmura and
Weiwei Mou and
Rajiv K. Kalia and
Aiichiro Nakano and
Priya Vashishta},
title = {Large nonadiabatic quantum molecular dynamics simulations on parallel
computers},
journal = {Comput. Phys. Commun.},
volume = {184},
number = {1},
pages = {1--8},
year = {2013},
url = {https://doi.org/10.1016/j.cpc.2012.08.001},
doi = {10.1016/J.CPC.2012.08.001},
timestamp = {Fri, 21 Feb 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/cphysics/ShimojoOMKNV13.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jpdc/PengTKNVFZS13,
author = {Liu Peng and
Guangming Tan and
Rajiv K. Kalia and
Aiichiro Nakano and
Priya Vashishta and
Dongrui Fan and
Hao Zhang and
Fenglong Song},
title = {Scalability study of molecular dynamics simulation on Godson-T many-core
architecture},
journal = {J. Parallel Distributed Comput.},
volume = {73},
number = {11},
pages = {1469--1482},
year = {2013},
url = {https://doi.org/10.1016/j.jpdc.2012.07.007},
doi = {10.1016/J.JPDC.2012.07.007},
timestamp = {Mon, 26 Jun 2023 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jpdc/PengTKNVFZS13.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/tjs/KunasethRGKNV13,
author = {Manaschai Kunaseth and
David F. Richards and
James N. Glosli and
Rajiv K. Kalia and
Aiichiro Nakano and
Priya Vashishta},
title = {Analysis of scalable data-privatization threading algorithms for hybrid
MPI/OpenMP parallelization of molecular dynamics},
journal = {J. Supercomput.},
volume = {66},
number = {1},
pages = {406--430},
year = {2013},
url = {https://doi.org/10.1007/s11227-013-0915-x},
doi = {10.1007/S11227-013-0915-X},
timestamp = {Fri, 22 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/tjs/KunasethRGKNV13.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/ipps/KunasethKNVRG13,
author = {Manaschai Kunaseth and
Rajiv K. Kalia and
Aiichiro Nakano and
Priya Vashishta and
David F. Richards and
James N. Glosli},
title = {Performance Characteristics of Hardware Transactional Memory for Molecular
Dynamics Application on BlueGene/Q: Toward Efficient Multithreading
Strategies for Large-Scale Scientific Applications},
booktitle = {2013 {IEEE} International Symposium on Parallel {\&} Distributed
Processing, Workshops and Phd Forum, Cambridge, MA, USA, May 20-24,
2013},
pages = {1326--1335},
publisher = {{IEEE}},
year = {2013},
url = {https://doi.org/10.1109/IPDPSW.2013.29},
doi = {10.1109/IPDPSW.2013.29},
timestamp = {Fri, 24 Mar 2023 00:00:00 +0100},
biburl = {https://dblp.org/rec/conf/ipps/KunasethKNVRG13.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/sc/KunasethKNNV13,
author = {Manaschai Kunaseth and
Rajiv K. Kalia and
Aiichiro Nakano and
Ken{-}ichi Nomura and
Priya Vashishta},
editor = {William Gropp and
Satoshi Matsuoka},
title = {A scalable parallel algorithm for dynamic range-limited \emph{n}-tuple
computation in many-body molecular dynamics simulation},
booktitle = {International Conference for High Performance Computing, Networking,
Storage and Analysis, SC'13, Denver, CO, {USA} - November 17 - 21,
2013},
pages = {71:1--71:12},
publisher = {{ACM}},
year = {2013},
url = {https://doi.org/10.1145/2503210.2503235},
doi = {10.1145/2503210.2503235},
timestamp = {Wed, 16 Oct 2019 14:14:57 +0200},
biburl = {https://dblp.org/rec/conf/sc/KunasethKNNV13.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/tjs/DursunKNCLCHKNV12,
author = {Hikmet Dursun and
Manaschai Kunaseth and
Ken{-}ichi Nomura and
Jacqueline Chame and
Robert F. Lucas and
Chun Chen and
Mary W. Hall and
Rajiv K. Kalia and
Aiichiro Nakano and
Priya Vashishta},
title = {Hierarchical parallelization and optimization of high-order stencil
computations on multicore clusters},
journal = {J. Supercomput.},
volume = {62},
number = {2},
pages = {946--966},
year = {2012},
url = {https://doi.org/10.1007/s11227-012-0764-z},
doi = {10.1007/S11227-012-0764-Z},
timestamp = {Tue, 21 Mar 2023 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/tjs/DursunKNCLCHKNV12.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/europar/KunasethNDKNV12,
author = {Manaschai Kunaseth and
Ken{-}ichi Nomura and
Hikmet Dursun and
Rajiv K. Kalia and
Aiichiro Nakano and
Priya Vashishta},
editor = {Christos Kaklamanis and
Theodore S. Papatheodorou and
Paul G. Spirakis},
title = {Memory-Access Optimization of Parallel Molecular Dynamics Simulation
via Dynamic Data Reordering},
booktitle = {Euro-Par 2012 Parallel Processing - 18th International Conference,
Euro-Par 2012, Rhodes Island, Greece, August 27-31, 2012. Proceedings},
series = {Lecture Notes in Computer Science},
volume = {7484},
pages = {781--792},
publisher = {Springer},
year = {2012},
url = {https://doi.org/10.1007/978-3-642-32820-6\_78},
doi = {10.1007/978-3-642-32820-6\_78},
timestamp = {Tue, 14 May 2019 10:00:46 +0200},
biburl = {https://dblp.org/rec/conf/europar/KunasethNDKNV12.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/sc/KnollIPNKNV12,
author = {Aaron Knoll and
Joseph A. Insley and
Michael E. Papka and
Ken{-}ichi Nomura and
Rajiv K. Kalia and
Aiichiro Nakano and
Priya Vashishta},
title = {Molecular Dynamics Simulation of Amorphous SiO2 Fracture},
booktitle = {2012 {SC} Companion: High Performance Computing, Networking Storage
and Analysis, Salt Lake City, UT, USA, November 10-16, 2012},
pages = {1569--1571},
publisher = {{IEEE} Computer Society},
year = {2012},
url = {https://doi.org/10.1109/SC.Companion.2012.327},
doi = {10.1109/SC.COMPANION.2012.327},
timestamp = {Fri, 24 Mar 2023 00:00:00 +0100},
biburl = {https://dblp.org/rec/conf/sc/KnollIPNKNV12.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/tjs/PengKDNWKNV11,
author = {Liu Peng and
Manaschai Kunaseth and
Hikmet Dursun and
Ken{-}ichi Nomura and
Weiqiang Wang and
Rajiv K. Kalia and
Aiichiro Nakano and
Priya Vashishta},
title = {Exploiting hierarchical parallelisms for molecular dynamics simulation
on multicore clusters},
journal = {J. Supercomput.},
volume = {57},
number = {1},
pages = {20--33},
year = {2011},
url = {https://doi.org/10.1007/s11227-011-0560-1},
doi = {10.1007/S11227-011-0560-1},
timestamp = {Fri, 22 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/tjs/PengKDNWKNV11.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/cf/PengNTVFZKS11,
author = {Liu Peng and
Aiichiro Nakano and
Guangming Tan and
Priya Vashishta and
Dongrui Fan and
Hao Zhang and
Rajiv K. Kalia and
Fenglong Song},
editor = {Calin Cascaval and
Pedro Trancoso and
Viktor K. Prasanna},
title = {Performance analysis and optimization of molecular dynamics simulation
on \emph{Godson-T} many-core processor},
booktitle = {Proceedings of the 8th Conference on Computing Frontiers, 2011, Ischia,
Italy, May 3-5, 2011},
pages = {32},
publisher = {{ACM}},
year = {2011},
url = {https://doi.org/10.1145/2016604.2016643},
doi = {10.1145/2016604.2016643},
timestamp = {Mon, 26 Jun 2023 01:00:00 +0200},
biburl = {https://dblp.org/rec/conf/cf/PengNTVFZKS11.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/csc/KunasethKNV10,
author = {Manaschai Kunaseth and
Rajiv K. Kalia and
Aiichiro Nakano and
Priya Vashishta},
editor = {Hamid R. Arabnia and
George A. Gravvanis and
Louis D'Alotto and
James F. Nystrom and
Ashu M. G. Solo and
William Spataro and
Emre Tokgoz},
title = {Performance Modeling, Analysis, and Optimization of Cell-List Based
Molecular Dynamics},
booktitle = {Proceedings of the 2010 International Conference on Scientific Computing,
{CSC} 2010, July 12-15, 2010, Las Vegas, Nevada, {USA}},
pages = {209--215},
publisher = {{CSREA} Press},
year = {2010},
timestamp = {Tue, 09 Jul 2013 11:19:54 +0200},
biburl = {https://dblp.org/rec/conf/csc/KunasethKNV10.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/europar/PengTKNVFS10,
author = {Liu Peng and
Guangming Tan and
Rajiv K. Kalia and
Aiichiro Nakano and
Priya Vashishta and
Dongrui Fan and
Ninghui Sun},
editor = {Mario R. Guarracino and
Fr{\'{e}}d{\'{e}}ric Vivien and
Jesper Larsson Tr{\"{a}}ff and
Mario Cannataro and
Marco Danelutto and
Anders Hast and
Francesca Perla and
Andreas Kn{\"{u}}pfer and
Beniamino Di Martino and
Michael Alexander},
title = {Preliminary Investigation of Accelerating Molecular Dynamics Simulation
on Godson-T Many-Core Processor},
booktitle = {Euro-Par 2010 Parallel Processing Workshops - HeteroPar, HPCC, HiBB,
CoreGrid, UCHPC, HPCF, PROPER, CCPI, VHPC, Ischia, Italy, August 31-September
3, 2010, Revised Selected Papers},
series = {Lecture Notes in Computer Science},
volume = {6586},
pages = {349--356},
publisher = {Springer},
year = {2010},
url = {https://doi.org/10.1007/978-3-642-21878-1\_43},
doi = {10.1007/978-3-642-21878-1\_43},
timestamp = {Mon, 26 Jun 2023 01:00:00 +0200},
biburl = {https://dblp.org/rec/conf/europar/PengTKNVFS10.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/corr/abs-1012-0900,
author = {Henry Yuen and
Fuyuki Shimojo and
Kevin J. Zhang and
Ken{-}ichi Nomura and
Rajiv K. Kalia and
Aiichiro Nakano and
Priya Vashishta},
title = {{DNA} Sequencing via Quantum Mechanics and Machine Learning},
journal = {CoRR},
volume = {abs/1012.0900},
year = {2010},
url = {http://arxiv.org/abs/1012.0900},
eprinttype = {arXiv},
eprint = {1012.0900},
timestamp = {Mon, 13 Aug 2018 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/corr/abs-1012-0900.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/ppl/DursunBKPSKNV09,
author = {Hikmet Dursun and
Kevin J. Barker and
Darren J. Kerbyson and
Scott Pakin and
Richard Seymour and
Rajiv K. Kalia and
Aiichiro Nakano and
Priya Vashishta},
title = {An {MPI} Performance Monitoring Interface for Cell Based Compute Nodes},
journal = {Parallel Process. Lett.},
volume = {19},
number = {4},
pages = {535--552},
year = {2009},
url = {https://doi.org/10.1142/S0129626409000407},
doi = {10.1142/S0129626409000407},
timestamp = {Tue, 24 Mar 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/ppl/DursunBKPSKNV09.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/europar/DursunNPSWKNV09,
author = {Hikmet Dursun and
Ken{-}ichi Nomura and
Liu Peng and
Richard Seymour and
Weiqiang Wang and
Rajiv K. Kalia and
Aiichiro Nakano and
Priya Vashishta},
editor = {Henk J. Sips and
Dick H. J. Epema and
Hai{-}Xiang Lin},
title = {A Multilevel Parallelization Framework for High-Order Stencil Computations},
booktitle = {Euro-Par 2009 Parallel Processing, 15th International Euro-Par Conference,
Delft, The Netherlands, August 25-28, 2009. Proceedings},
series = {Lecture Notes in Computer Science},
volume = {5704},
pages = {642--653},
publisher = {Springer},
year = {2009},
url = {https://doi.org/10.1007/978-3-642-03869-3\_61},
doi = {10.1007/978-3-642-03869-3\_61},
timestamp = {Tue, 14 May 2019 10:00:46 +0200},
biburl = {https://dblp.org/rec/conf/europar/DursunNPSWKNV09.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/ipps/NomuraSWDKNVSY09,
author = {Ken{-}ichi Nomura and
Richard Seymour and
Weiqiang Wang and
Hikmet Dursun and
Rajiv K. Kalia and
Aiichiro Nakano and
Priya Vashishta and
Fuyuki Shimojo and
Lin H. Yang},
title = {A metascalable computing framework for large spatiotemporal-scale
atomistic simulations},
booktitle = {23rd {IEEE} International Symposium on Parallel and Distributed Processing,
{IPDPS} 2009, Rome, Italy, May 23-29, 2009},
pages = {1--10},
publisher = {{IEEE}},
year = {2009},
url = {https://doi.org/10.1109/IPDPS.2009.5160992},
doi = {10.1109/IPDPS.2009.5160992},
timestamp = {Fri, 24 Mar 2023 00:00:00 +0100},
biburl = {https://dblp.org/rec/conf/ipps/NomuraSWDKNVSY09.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/ipps/PengSNKNVLNVW09,
author = {Liu Peng and
Richard Seymour and
Ken{-}ichi Nomura and
Rajiv K. Kalia and
Aiichiro Nakano and
Priya Vashishta and
Alexander Loddoch and
Michael Netzband and
William R. Volz and
Chap C. Wong},
title = {High-order stencil computations on multicore clusters},
booktitle = {23rd {IEEE} International Symposium on Parallel and Distributed Processing,
{IPDPS} 2009, Rome, Italy, May 23-29, 2009},
pages = {1--11},
publisher = {{IEEE}},
year = {2009},
url = {https://doi.org/10.1109/IPDPS.2009.5161011},
doi = {10.1109/IPDPS.2009.5161011},
timestamp = {Fri, 24 Mar 2023 00:00:00 +0100},
biburl = {https://dblp.org/rec/conf/ipps/PengSNKNVLNVW09.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/pdpta/PengKDNWKNV09,
author = {Liu Peng and
Manaschai Kunaseth and
Hikmet Dursun and
Ken{-}ichi Nomura and
Weiqiang Wang and
Rajiv K. Kalia and
Aiichiro Nakano and
Priya Vashishta},
editor = {Hamid R. Arabnia},
title = {A Scalable Hierarchical Parallelization Framework for Molecular Dynamics
Simulation on Multicore Clusters},
booktitle = {Proceedings of the International Conference on Parallel and Distributed
Processing Techniques and Applications, {PDPTA} 2009, Las Vegas, Nevada,
USA, July 13-17, 2009, 2 Volumes},
pages = {97--103},
publisher = {{CSREA} Press},
year = {2009},
timestamp = {Fri, 30 Oct 2009 07:14:37 +0100},
biburl = {https://dblp.org/rec/conf/pdpta/PengKDNWKNV09.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/pdpta/DursunNWKPSKNV09,
author = {Hikmet Dursun and
Ken{-}ichi Nomura and
Weiqiang Wang and
Manaschai Kunaseth and
Liu Peng and
Richard Seymour and
Rajiv K. Kalia and
Aiichiro Nakano and
Priya Vashishta},
editor = {Hamid R. Arabnia},
title = {In-Core Optimization of High-Order Stencil Computations},
booktitle = {Proceedings of the International Conference on Parallel and Distributed
Processing Techniques and Applications, {PDPTA} 2009, Las Vegas, Nevada,
USA, July 13-17, 2009, 2 Volumes},
pages = {533--538},
publisher = {{CSREA} Press},
year = {2009},
timestamp = {Fri, 30 Oct 2009 00:00:00 +0100},
biburl = {https://dblp.org/rec/conf/pdpta/DursunNWKPSKNV09.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/cphysics/NomuraKNV08,
author = {Ken{-}ichi Nomura and
Rajiv K. Kalia and
Aiichiro Nakano and
Priya Vashishta},
title = {A scalable parallel algorithm for large-scale reactive force-field
molecular dynamics simulations},
journal = {Comput. Phys. Commun.},
volume = {178},
number = {2},
pages = {73--87},
year = {2008},
url = {https://doi.org/10.1016/j.cpc.2007.08.014},
doi = {10.1016/J.CPC.2007.08.014},
timestamp = {Fri, 21 Feb 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/cphysics/NomuraKNV08.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/ijhpca/NakanoKNSVSDGBSY08,
author = {Aiichiro Nakano and
Rajiv K. Kalia and
Ken{-}ichi Nomura and
Ashish Sharma and
Priya Vashishta and
Fuyuki Shimojo and
Adri C. T. van Duin and
William A. Goddard and
Rupak Biswas and
Deepak Srivastava and
Lin H. Yang},
title = {De Novo Ultrascale Atomistic Simulations On High-End Parallel Supercomputers},
journal = {Int. J. High Perform. Comput. Appl.},
volume = {22},
number = {1},
pages = {113--128},
year = {2008},
url = {https://doi.org/10.1177/1094342007085015},
doi = {10.1177/1094342007085015},
timestamp = {Wed, 12 Oct 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/ijhpca/NakanoKNSVSDGBSY08.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/europar/PengNOKNV08,
author = {Liu Peng and
Ken{-}ichi Nomura and
Takehiro Oyakawa and
Rajiv K. Kalia and
Aiichiro Nakano and
Priya Vashishta},
editor = {Emilio Luque and
Tom{\`{a}}s Margalef and
Domingo Benitez},
title = {Parallel Lattice Boltzmann Flow Simulation on Emerging Multi-core
Platforms},
booktitle = {Euro-Par 2008 - Parallel Processing, 14th International Euro-Par Conference,
Las Palmas de Gran Canaria, Spain, August 26-29, 2008, Proceedings},
series = {Lecture Notes in Computer Science},
volume = {5168},
pages = {763--777},
publisher = {Springer},
year = {2008},
url = {https://doi.org/10.1007/978-3-540-85451-7\_81},
doi = {10.1007/978-3-540-85451-7\_81},
timestamp = {Tue, 14 May 2019 10:00:46 +0200},
biburl = {https://dblp.org/rec/conf/europar/PengNOKNV08.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/cphysics/VashishtaKN07,
author = {Priya Vashishta and
Rajiv K. Kalia and
Aiichiro Nakano},
title = {Multimillion atom simulations of dynamics of wing cracks and nanoscale
damage in glass, and hypervelocity impact damage in ceramics},
journal = {Comput. Phys. Commun.},
volume = {177},
number = {1-2},
pages = {202--205},
year = {2007},
url = {https://doi.org/10.1016/j.cpc.2007.02.097},
doi = {10.1016/J.CPC.2007.02.097},
timestamp = {Fri, 21 Feb 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/cphysics/VashishtaKN07.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/tjs/NomuraKNVL07,
author = {Ken{-}ichi Nomura and
Rajiv K. Kalia and
Aiichiro Nakano and
Priya Vashishta and
Jorge L. Landa},
title = {Parallel history matching and associated forecast at the center for
interactive smart oilfield technologies},
journal = {J. Supercomput.},
volume = {41},
number = {2},
pages = {109--117},
year = {2007},
url = {https://doi.org/10.1007/s11227-006-0031-2},
doi = {10.1007/S11227-006-0031-2},
timestamp = {Fri, 22 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/tjs/NomuraKNVL07.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/cphysics/ZhangBBKNSV06,
author = {Cheng Zhang and
Bhupesh Bansal and
Paulo S. Branicio and
Rajiv K. Kalia and
Aiichiro Nakano and
Ashish Sharma and
Priya Vashishta},
title = {Collision-free spatial hash functions for structural analysis of billion-vertex
chemical bond networks},
journal = {Comput. Phys. Commun.},
volume = {175},
number = {5},
pages = {339--347},
year = {2006},
url = {https://doi.org/10.1016/j.cpc.2006.06.001},
doi = {10.1016/J.CPC.2006.06.001},
timestamp = {Fri, 21 Feb 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/cphysics/ZhangBBKNSV06.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/sc/TakemiyaTSOKNV06,
author = {Hiroshi Takemiya and
Yoshio Tanaka and
Satoshi Sekiguchi and
Shuji Ogata and
Rajiv K. Kalia and
Aiichiro Nakano and
Priya Vashishta},
title = {Grid applications - Sustainable adaptive grid supercomputing: multiscale
simulation of semiconductor processing across the pacific},
booktitle = {Proceedings of the {ACM/IEEE} {SC2006} Conference on High Performance
Networking and Computing, November 11-17, 2006, Tampa, FL, {USA}},
pages = {106},
publisher = {{ACM} Press},
year = {2006},
url = {https://doi.org/10.1145/1188455.1188566},
doi = {10.1145/1188455.1188566},
timestamp = {Fri, 24 Mar 2023 00:00:00 +0100},
biburl = {https://dblp.org/rec/conf/sc/TakemiyaTSOKNV06.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/cphysics/ShimojoKNV05,
author = {Fuyuki Shimojo and
Rajiv K. Kalia and
Aiichiro Nakano and
Priya Vashishta},
title = {Embedded divide-and-conquer algorithm on hierarchical real-space grids:
parallel molecular dynamics simulation based on linear-scaling density
functional theory},
journal = {Comput. Phys. Commun.},
volume = {167},
number = {3},
pages = {151--164},
year = {2005},
url = {https://doi.org/10.1016/j.cpc.2005.01.005},
doi = {10.1016/J.CPC.2005.01.005},
timestamp = {Fri, 21 Feb 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/cphysics/ShimojoKNV05.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/pdpta/NomuraKNVL05,
author = {Ken{-}ichi Nomura and
Rajiv K. Kalia and
Aiichiro Nakano and
Priya Vashishta and
Jorge L. Landa},
editor = {Hamid R. Arabnia},
title = {Parallel History Matching and Associated Forecast at the Center for
Interactive Smart Oilfield Technologies},
booktitle = {Proceedings of the International Conference on Parallel and Distributed
Processing Techniques and Applications, {PDPTA} 2005, Las Vegas, Nevada,
USA, June 27-30, 2005, Volume 1},
pages = {369--372},
publisher = {{CSREA} Press},
year = {2005},
timestamp = {Wed, 25 Jan 2006 09:49:27 +0100},
biburl = {https://dblp.org/rec/conf/pdpta/NomuraKNVL05.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/cphysics/SharmaKNV04,
author = {Ashish Sharma and
Rajiv K. Kalia and
Aiichiro Nakano and
Priya Vashishta},
title = {Scalable and portable visualization of large atomistic datasets},
journal = {Comput. Phys. Commun.},
volume = {163},
number = {1},
pages = {53--64},
year = {2004},
url = {https://doi.org/10.1016/j.cpc.2004.07.008},
doi = {10.1016/J.CPC.2004.07.008},
timestamp = {Wed, 12 Oct 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/cphysics/SharmaKNV04.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/cse/SharmaKNV03,
author = {Ashish Sharma and
Rajiv K. Kalia and
Aiichiro Nakano and
Priya Vashishta},
title = {Large multidimensional data visualization for materials science},
journal = {Comput. Sci. Eng.},
volume = {5},
number = {2},
pages = {26--33},
year = {2003},
url = {https://doi.org/10.1109/MCISE.2003.1182959},
doi = {10.1109/MCISE.2003.1182959},
timestamp = {Wed, 12 Oct 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/cse/SharmaKNV03.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/presence/SharmaNKVKMZLCH03,
author = {Ashish Sharma and
Aiichiro Nakano and
Rajiv K. Kalia and
Priya Vashishta and
Sanjay Kodiyalam and
Paul Miller and
Wei Zhao and
Xinlian Liu and
Timothy Campbell and
Andy Haas},
title = {Immersive and Interactive Exploration of Billion-Atom Systems},
journal = {Presence Teleoperators Virtual Environ.},
volume = {12},
number = {1},
pages = {85--95},
year = {2003},
url = {https://doi.org/10.1162/105474603763835350},
doi = {10.1162/105474603763835350},
timestamp = {Wed, 12 Oct 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/presence/SharmaNKVKMZLCH03.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/ipps/KikuchiKNVSS03,
author = {Hideaki Kikuchi and
Rajiv K. Kalia and
Aiichiro Nakano and
Priya Vashishta and
Fuyuki Shimojo and
Subhash Saini},
title = {Scalability of a Low-Cost Multi-Teraflop Linux Cluster for High-End
Classical Atomistic and Quantum Mechanical Simulations},
booktitle = {17th International Parallel and Distributed Processing Symposium {(IPDPS}
2003), 22-26 April 2003, Nice, France, CD-ROM/Abstracts Proceedings},
pages = {66},
publisher = {{IEEE} Computer Society},
year = {2003},
url = {https://doi.org/10.1109/IPDPS.2003.1213163},
doi = {10.1109/IPDPS.2003.1213163},
timestamp = {Fri, 24 Mar 2023 00:00:00 +0100},
biburl = {https://dblp.org/rec/conf/ipps/KikuchiKNVSS03.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/sp/NakanoKVCOSS02,
author = {Aiichiro Nakano and
Rajiv K. Kalia and
Priya Vashishta and
Timothy Campbell and
Shuji Ogata and
Fuyuki Shimojo and
Subhash Saini},
title = {Scalable atomistic simulation algorithms for materials research},
journal = {Sci. Program.},
volume = {10},
number = {4},
pages = {263--270},
year = {2002},
url = {https://doi.org/10.1155/2002/203525},
doi = {10.1155/2002/203525},
timestamp = {Thu, 30 Jul 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/sp/NakanoKVCOSS02.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/hipc/VashishtaKN02,
author = {Priya Vashishta and
Rajiv K. Kalia and
Aiichiro Nakano},
editor = {Sartaj Sahni and
Viktor K. Prasanna and
Uday Shukla},
title = {Info-Bio-Nano Interface: High-Performance Computing {\&} Visualization},
booktitle = {High Performance Computing - HiPC 2002, 9th International Conference,
Bangalore, India, December 18-21, 2002, Proceedings},
series = {Lecture Notes in Computer Science},
volume = {2552},
pages = {3--8},
publisher = {Springer},
year = {2002},
url = {https://doi.org/10.1007/3-540-36265-7\_1},
doi = {10.1007/3-540-36265-7\_1},
timestamp = {Tue, 14 May 2019 10:00:50 +0200},
biburl = {https://dblp.org/rec/conf/hipc/VashishtaKN02.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/sc/KikuchiKNVIOKSTS02,
author = {Hideaki Kikuchi and
Rajiv K. Kalia and
Aiichiro Nakano and
Priya Vashishta and
Hiroshi Iyetomi and
Shuji Ogata and
Takahisa Kouno and
Fuyuki Shimojo and
Kenji Tsuruta and
Subhash Saini},
editor = {Roscoe C. Giles and
Daniel A. Reed and
Kathryn Kelley},
title = {Collaborative simulation grid: multiscale quantum-mechanical/classical
atomistic simulations on distributed {PC} clusters in the {US} and
Japan},
booktitle = {Proceedings of the 2002 {ACM/IEEE} conference on Supercomputing, Baltimore,
Maryland, USA, November 16-22, 2002, {CD-ROM}},
pages = {39:1--39:8},
publisher = {{IEEE} Computer Society},
year = {2002},
url = {https://doi.org/10.1109/SC.2002.10013},
doi = {10.1109/SC.2002.10013},
timestamp = {Fri, 24 Mar 2023 00:00:00 +0100},
biburl = {https://dblp.org/rec/conf/sc/KikuchiKNVIOKSTS02.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/vr/SharmaLMNKVZCH02,
author = {Ashish Sharma and
Xinlian Liu and
Paul Miller and
Aiichiro Nakano and
Rajiv K. Kalia and
Priya Vashishta and
Wei Zhao and
Timothy Campbell and
Andy Haas},
title = {Immersive and Interactive Exploration of Billion-Atom Systems},
booktitle = {{IEEE} Virtual Reality Conference 2002, {VR} '02, Orlando, Florida,
USA, March 24-28, 2002, Proceedings},
pages = {217--223},
publisher = {{IEEE} Computer Society},
year = {2002},
url = {https://doi.org/10.1109/VR.2002.996525},
doi = {10.1109/VR.2002.996525},
timestamp = {Thu, 23 Mar 2023 00:00:00 +0100},
biburl = {https://dblp.org/rec/conf/vr/SharmaLMNKVZCH02.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/cse/NakanoBKLVVCOS01,
author = {Aiichiro Nakano and
Martina E. Bachlechner and
Rajiv K. Kalia and
Elefterios Lidorikis and
Priya Vashishta and
George Z. Voyiadjis and
Timothy Campbell and
Shuji Ogata and
Fuyuki Shimojo},
title = {Multiscale simulation of nanosystems},
journal = {Comput. Sci. Eng.},
volume = {3},
number = {4},
pages = {56--66},
year = {2001},
url = {https://doi.org/10.1109/5992.931904},
doi = {10.1109/5992.931904},
timestamp = {Sat, 30 Sep 2023 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/cse/NakanoBKLVVCOS01.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/sc/NakanoKVCOSS01,
author = {Aiichiro Nakano and
Rajiv K. Kalia and
Priya Vashishta and
Timothy Campbell and
Shuji Ogata and
Fuyuki Shimojo and
Subhash Saini},
editor = {Greg Johnson},
title = {Scalable atomistic simulation algorithms for materials research},
booktitle = {Proceedings of the 2001 {ACM/IEEE} conference on Supercomputing, Denver,
CO, USA, November 10-16, 2001, {CD-ROM}},
pages = {1},
publisher = {{ACM}},
year = {2001},
url = {https://doi.org/10.1145/582034.582035},
doi = {10.1145/582034.582035},
timestamp = {Fri, 24 Mar 2023 00:00:00 +0100},
biburl = {https://dblp.org/rec/conf/sc/NakanoKVCOSS01.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/fgcs/ShimojoCKNVOT00,
author = {Fuyuki Shimojo and
Timothy Campbell and
Rajiv K. Kalia and
Aiichiro Nakano and
Priya Vashishta and
Shuji Ogata and
Kenji Tsuruta},
title = {A scalable molecular-dynamics algorithm suite for materials simulations:
design-space diagram on 1024 Cray {T3E} processors},
journal = {Future Gener. Comput. Syst.},
volume = {17},
number = {3},
pages = {279--291},
year = {2000},
url = {https://doi.org/10.1016/S0167-739X(00)00087-X},
doi = {10.1016/S0167-739X(00)00087-X},
timestamp = {Wed, 19 Feb 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/fgcs/ShimojoCKNVOT00.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/cse/NakanoKV99,
author = {Aiichiro Nakano and
Rajiv K. Kalia and
Priya Vashishta},
title = {Scalable molecular-dynamics, visualization, and data management algorithms
for materials simulations},
journal = {Comput. Sci. Eng.},
volume = {1},
number = {5},
pages = {39--47},
year = {1999},
url = {https://doi.org/10.1109/5992.790586},
doi = {10.1109/5992.790586},
timestamp = {Tue, 16 Aug 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/cse/NakanoKV99.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/cse/VashishtaKN99,
author = {Priya Vashishta and
Rajiv K. Kalia and
Aiichiro Nakano},
title = {Large-scale atomistic simulations of dynamic fracture},
journal = {Comput. Sci. Eng.},
volume = {1},
number = {5},
pages = {56--65},
year = {1999},
url = {https://doi.org/10.1109/5992.790588},
doi = {10.1109/5992.790588},
timestamp = {Tue, 16 Aug 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/cse/VashishtaKN99.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/vlsi/NakanoKV98,
author = {Aiichiro Nakano and
Rajiv K. Kalia and
Priya Vashishta},
title = {Multilevel Algorithms for Large-scope Molecular Dynamics Simulations
of Nanostructures on Parallel Computers},
journal = {{VLSI} Design},
volume = {8},
number = {1-4},
pages = {123--128},
year = {1998},
url = {https://doi.org/10.1155/1998/93670},
doi = {10.1155/1998/93670},
timestamp = {Mon, 08 May 2023 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/vlsi/NakanoKV98.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/ijhpca/KaliaVYDR90,
author = {Rajiv K. Kalia and
Priya Vashishta and
Lin H. Yang and
Fred W. Dech and
John Rowlan},
title = {Quantum Molecular Dynamics: a New Algorithm for Linear and Nonlinear
Electron Transport in Disordered Materials},
journal = {Int. J. High Perform. Comput. Appl.},
volume = {4},
number = {3},
pages = {22--33},
year = {1990},
url = {https://doi.org/10.1177/109434209000400304},
doi = {10.1177/109434209000400304},
timestamp = {Mon, 26 Oct 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/ijhpca/KaliaVYDR90.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/ijhsc/GreenwellKPV89,
author = {D. L. Greenwell and
Rajiv K. Kalia and
J. C. Patterson and
Priya Vashishta},
title = {Molecular Dynamics Algorithm on the Connection Machine},
journal = {Int. J. High Speed Comput.},
volume = {1},
number = {2},
pages = {321--328},
year = {1989},
url = {https://doi.org/10.1142/S0129053389000172},
doi = {10.1142/S0129053389000172},
timestamp = {Tue, 08 Sep 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/ijhsc/GreenwellKPV89.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
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