Correcting mesh-based force calculations to conserve both energy and momentum in molecular dynamics simulations

Journal of Computational Physics

Volumn 225, Issue 1, 2007, Pages 1-5

  Skeel, Robert D ^a   Hardy, David J ^b   Phillips, James C ^b  

^a Purdue University   (United States)

^b UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

Author keywords

Ewald sum; Force fields; Molecular dynamics

Indexed keywords

DYNAMICS SIMULATION; ENERGY; EWALD SUMS; FORCE CALCULATION; FORCEFIELDS;

MOLECULAR DYNAMICS;

EID: 34447255444     PISSN: 00219991     EISSN: 10902716     Source Type: Journal    
DOI: 10.1016/j.jcp.2007.03.010     Document Type: Article

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