An energy basin finding algorithm for kinetic Monte Carlo acceleration

Journal of Chemical Physics

Volumn 132, Issue 13, 2010, Pages

  Puchala, Brian ^a,c   Falk, Michael L ^b   Garikipati, Krishna ^a  

^a UNIVERSITY OF MICHIGAN   (United States)

^b Johns Hopkins University   (United States)

^c University of Wisconsin Madison   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORBING MARKOV CHAIN; APPROXIMATE METHODS; ENERGY BASINS; FINDING ALGORITHM; KINETIC MONTE CARLO; KINETIC MONTE CARLO SIMULATION; MINIMUM ENERGY; ORDERS OF MAGNITUDE; SADDLE POINT; SADDLE POINT ENERGY; TRAPPING ENERGY;

APPROXIMATION THEORY; DISSOLUTION; MARKOV PROCESSES; MONTE CARLO METHODS;

CLUSTERING ALGORITHMS;

EID: 77956317694     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3369627     Document Type: Article

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