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Journal of Chemical Physics

Volumn 133, Issue 3, 2010, Pages

Optimizing working parameters of the smooth particle mesh Ewald algorithm in terms of accuracy and efficiency

(3) Wang, Han a Dommert, Florian b Holm, Christian b

a PEKING UNIVERSITY (China)

b UNIVERSITY OF STUTTGART (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE CONFIGURATION; CPU TIME; DIFFERENTIATION SCHEMES; ERROR ESTIMATES; FORCE ERROR; HOMOGENEOUS SAMPLES; MOLECULAR DYNAMICS SIMULATIONS; OPTIMAL SPEED; PARAMETER SET; PERIODIC BOUNDARY CONDITIONS; ROOT MEAN SQUARE; SMOOTH PARTICLE-MESH EWALD ALGORITHMS; WORKING PARAMETERS;

OPTIMIZATION;

MOLECULAR DYNAMICS;

EID: 77956235807 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.3446812 Document Type: Article

Times cited : (122)

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