Energy drift

Results: 42



#Item
41Water / Intermolecular forces / Molecular modelling / Hydrogen bond / Energy drift / Water model / Properties of water / Diatomic molecule / Hydrogen / Chemistry / Computational chemistry / Molecular dynamics

Improving E ciency of Large Time-scale Molecular Dynamics Simulations of

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Source URL: pdf.aminer.org

Language: English - Date: 2011-10-18 14:00:19
42Molecular dynamics / Theoretical chemistry / Molecular modelling / Anton / Force field / N-body simulation / Water model / Simulation / Energy drift / Chemistry / Computational chemistry / Science

Millisecond-Scale Molecular Dynamics Simulations on Anton David E. Shaw *, Ron O. Dror, John K. Salmon, J.P. Grossman, Kenneth M. Mackenzie,

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Source URL: cacs.usc.edu

Language: English - Date: 2013-06-11 14:52:15
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