Correcting Mesh-Based Force Calculations to Conserve Both Energy and Momentum in Molecular Dynamics Simulations
J Comput Phys
.
2007 Jul 1;225(1):1-5.
doi: 10.1016/j.jcp.2007.03.010.
Authors
Robert D Skeel
1
,
David J Hardy
,
James C Phillips
Affiliation
1
Department of Computer Science, Purdue University, 305 North University Street, West Lafayette, Indiana, 47907-2107, U.S.A.
PMID:
18591998
PMCID:
PMC2346486
DOI:
10.1016/j.jcp.2007.03.010
No abstract available
Grants and funding
P41 RR005969/RR/NCRR NIH HHS/United States
P41 RR005969-18/RR/NCRR NIH HHS/United States
R01 GM083605/GM/NIGMS NIH HHS/United States
R01 GM083605-01/GM/NIGMS NIH HHS/United States