DOI: 10.1016/j.cpc.2017.05.003. Efficient molecular dynamics simulations with many-body potentials on graphics processing units

Efficient molecular dynamics simulations with many-body potentials on graphics processing units

10.1016/j.cpc.2017.05.003

Crossref journal-article

Elsevier BV

Computer Physics Communications (78)

Bibliography

Fan, Z., Chen, W., Vierimaa, V., & Harju, A. (2017). Efficient molecular dynamics simulations with many-body potentials on graphics processing units. Computer Physics Communications, 218, 10â16.

Authors 4

Zheyong Fan (first)
Wei Chen (additional)
Ville Vierimaa (additional)
Ari Harju (additional)

References 34 Referenced 214

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10.1016/j.cpc.2011.01.009 / Comput. Phys. Comm. by Colberg (2011)
N.P. Bailey et al., RUMD: A general purpose molecular dynamics package optimized to utilize GPU hardware down to a few thousand particles. arXiv:1506.05094v2
10.1016/j.cpc.2010.12.026 / Comput. Phys. Comm. by Morozov (2011)
10.1016/j.procs.2012.04.020 / Procedia Comput. Sci. by Brown (2012)
10.1016/j.cpc.2013.03.026 / Comput. Phys. Comm. by Hou (2013)
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{'key': '10.1016/j.cpc.2017.05.003_b19', 'first-page': '783', 'volume': '14', 'author': 'Brenner', 'year': '2002', 'journal-title': 'J. Phys.: Condens. Matter'} / J. Phys.: Condens. Matter by Brenner (2002)
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M. Höhnerhach, A.E. Ismail, P. Bientinesi, The vectorization of the Tersoff multi-body potential: An exercise in performance portability. arXiv:1607.02904v1
10.1016/j.jcp.2016.05.061 / J. Comput. Phys. by Tredak (2016)
10.1016/j.cpc.2016.10.020 / Comput. Phys. Comm. by Nguyen (2017)
http://docs.nvidia.com/cuda/cuda-c-programming-guide/
10.1103/PhysRevB.92.094301 / Phys. Rev. B by Fan (2015)
10.1016/j.cpc.2013.01.008 / Comput. Phys. Comm. by Fan (2013)
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http://github.com/HPAC/lammps-tersoff-vector
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10.1088/2053-1583/aa529b / 2D Mater by Fan (2017)
10.1103/PhysRevB.95.144309 / Phys. Rev. B by Fan (2017)

Dates

Type	When
Created	8 years, 3 months ago (May 10, 2017, 1:17 a.m.)
Deposited	1 year, 1 month ago (June 23, 2024, 9:15 p.m.)
Indexed	4 days, 9 hours ago (Aug. 19, 2025, 7:09 a.m.)
Issued	7 years, 11 months ago (Sept. 1, 2017)
Published	7 years, 11 months ago (Sept. 1, 2017)
Published Print	7 years, 11 months ago (Sept. 1, 2017)

Funders 3

National Natural Science Foundation of China 10.13039/501100001809
Region: Asia
gov (National government)
Labels11
1. Chinese National Science Foundation
2. Natural Science Foundation of China
3. National Science Foundation of China
4. NNSF of China
5. NSF of China
6. 国家自然科学基金委员会
7. National Nature Science Foundation of China
8. Guójiā Zìrán Kēxué Jījīn Wěiyuánhuì
9. NSFC
10. NNSF
11. NNSFC
Awards2
1. 11504384
2. 11404033
Aalto Science-IT project, Finland’s IT Center for Science (CSC)
China Scientific Computing Grid (ScGrid)

BibTeX

@article{Fan_2017, title={Efficient molecular dynamics simulations with many-body potentials on graphics processing units}, volume={218}, ISSN={0010-4655}, url={http://dx.doi.org/10.1016/j.cpc.2017.05.003}, DOI={10.1016/j.cpc.2017.05.003}, journal={Computer Physics Communications}, publisher={Elsevier BV}, author={Fan, Zheyong and Chen, Wei and Vierimaa, Ville and Harju, Ari}, year={2017}, month=sep, pages={10–16} }

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