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Long Timestep Molecular Dynamics on the Graphical Processing Unit
Molecular dynamics (MD) simulations now play a key role in many areas of theoretical chemistry, biology, physics, and materials science. In many cases, such calculations are significantly limited by the massive amount of computer time needed to perform calculations of interest. Herein, we present Lo...
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| Main Authors: | , , , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2013
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3890418/ https://ncbi.nlm.nih.gov/pubmed/24436689 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct400331r |
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