Interactive physically-based structural modeling of hydrocarbon systems

Journal of Computational Physics

Volumn 231, Issue 6, 2012, Pages 2581-2598

  Bosson, Mael ^a   Grudinin, Sergei ^a   Bouju, Xavier ^b   Redon, Stephane ^a  

^a UNIV GRENOBLE ALPES   (France)

^b CEMES CNRS   (France)

Author keywords

Adaptive algorithms; Brenner potential; Hydrocarbon builder; Interactive modeling

Indexed keywords

ADAPTIVE ALGORITHMS; ELECTRONIC STRUCTURE; HYDROCARBONS; INTELLIGENT SYSTEMS; MOLECULAR DYNAMICS; MONTE CARLO METHODS; NUMERICAL METHODS; POTENTIAL ENERGY; TOPOLOGY;

ADAPTIVE SIMULATION; ATOMIC POSITIONS; BRENNER POTENTIAL; HYDROCARBON BUILDER; HYDROCARBON SYSTEMS; INTERACTIVE MODELS; MODELLING TOOLS; PHYSICALLY BASED; SIMULATION ALGORITHMS; STRUCTURAL MODELING;

ATOMS;

EID: 84856214131     PISSN: 00219991     EISSN: 10902716     Source Type: Journal    
DOI: 10.1016/j.jcp.2011.12.006     Document Type: Article

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