Algorithms of GPU-enabled reactive force field (ReaxFF) molecular dynamics

Journal of Molecular Graphics and Modelling

Volumn 41, Issue , 2013, Pages 1-11

  Zheng, Mo ^a,b   Li, Xiaoxia ^a   Guo, Li ^a  

^a INSTITUTE OF PROCESS ENGINEERING   (China)

^b UNIVERSITY OF CHINESE ACADEMY OF SCIENCES   (China)

Author keywords

GMD Reax; GPU computing; Lammps; Reactive molecular dynamics; ReaxFF

Indexed keywords

GMD-REAX; GPU COMPUTING; LAMMPS; REACTIVE MOLECULAR DYNAMICS; REAXFF;

ALGORITHMS; COMPUTER GRAPHICS; MOLECULAR DYNAMICS; PROGRAM PROCESSORS; QUANTUM THEORY; REACTION KINETICS;

COMPUTER GRAPHICS EQUIPMENT;

ARTICLE; ATOM; CATALYSIS; CHEMICAL REACTION; COMPUTER; GRAPHICS PROCESSING UNIT; INFORMATION PROCESSING; MOLECULAR DYNAMICS; PRIORITY JOURNAL; PYROLYSIS; QUANTUM MECHANICS; REACTIVE FORCE FIELD; SIMULATION; TIME;

ALGORITHMS; COMPUTER GRAPHICS; IMAGING, THREE-DIMENSIONAL; MODELS, CHEMICAL; MOLECULAR DYNAMICS SIMULATION; QUANTUM THEORY; SOFTWARE;

EID: 84875546633     PISSN: 10933263     EISSN: 18734243     Source Type: Journal    
DOI: 10.1016/j.jmgm.2013.02.001     Document Type: Article

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