Accurate acceleration of kinetic Monte Carlo simulations through the modification of rate constants

Journal of Chemical Physics

Volumn 132, Issue 19, 2010, Pages

  Chatterjee, Abhijit ^a   Voter, Arthur F ^b  

^a INDIAN INSTITUTE OF TECHNOLOGY KANPUR   (India)

^b LOS ALAMOS NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL ALGORITHM; COMPUTATIONAL SPEED; ERROR ESTIMATES; KINETIC MONTE CARLO; KINETIC MONTE CARLO SIMULATION; MAXIMUM ERROR; NUMERICAL CALCULATION; TIME PROGRESS; TIME SCALE SEPARATION; TIME-SCALES;

COMPUTATION THEORY; COMPUTATIONAL EFFICIENCY; COMPUTER SIMULATION; KNOWLEDGE BASED SYSTEMS; MONTE CARLO METHODS; RATE CONSTANTS;

PROCESS CONTROL;

ALGORITHM; ARTICLE; COMPUTER SIMULATION; KINETICS; MOLECULAR DYNAMICS; MONTE CARLO METHOD;

ALGORITHMS; COMPUTER SIMULATION; KINETICS; MOLECULAR DYNAMICS SIMULATION; MONTE CARLO METHOD;

EID: 77952974859     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3409606     Document Type: Article

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