Parameter optimization in molecular dynamics simulations using a genetic algorithm

Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms

Volumn 269, Issue 14, 2011, Pages 1559-1563

  Angibaud, L ^a   Briquet, L ^a   Philipp, P ^a   Wirtz, T ^a   Kieffer, J ^b  

^a LUXEMBOURG INSTITUTE OF SCIENCE AND TECHNOLOGY   (Luxembourg)

^b UNIVERSITY OF MICHIGAN   (United States)

Author keywords

Force field; Genetic algorithm; Molecular dynamics; Parametrization; Silicon

Indexed keywords

ALGORITHM EFFICIENCY; ANGULAR CONSTRAINT; COORDINATION NUMBER; FORCE FIELDS; MOLECULAR DYNAMICS SIMULATIONS; PARAMETER OPTIMIZATION; PARAMETER SET; PARAMETRIZATIONS; REACTIVE FORCE FIELD; SIMULATING SYSTEM; STRUCTURAL REORGANIZATION; TRIAL-AND-ERROR PROCESS;

CHARGE TRANSFER; CRYSTAL ATOMIC STRUCTURE; GENETIC ALGORITHMS; ION EXCHANGE; OPTIMIZATION;

MOLECULAR DYNAMICS;

EID: 79959256891     PISSN: 0168583X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.nimb.2010.11.024     Document Type: Conference Paper

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