Simulating structural transitions by direct transition current sampling: The example of LJ38

Journal of Chemical Physics

Volumn 135, Issue 3, 2011, Pages

  Picciani, Massimiliano ^a   Athnes, Manuel ^a   Kurchan, Jorge ^b   Tailleur, Julien ^c  

^a SERVICE DE RECHERCHES DE MÉTALLURGIE PHYSIQUE   (France)

^b CNRS   (France)

^c UNIVERSITY OF EDINBURGH   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL EFFORT; DIRECT TRANSITION; INDIVIDUAL SYSTEMS; LENNARD-JONES POTENTIAL; MONTE CARLO; PASSAGE TIME; REACTION PATHS; STRUCTURAL TRANSITIONS; TIME EVOLUTIONS; TIME-SCALES; TRANSITION PROBABILITIES;

COMPUTER SIMULATION; MOLECULAR DYNAMICS;

PROBABILITY;

ALGORITHM; ARTICLE; MOLECULAR DYNAMICS; MONTE CARLO METHOD;

ALGORITHMS; MOLECULAR DYNAMICS SIMULATION; MONTE CARLO METHOD;

EID: 79960917917     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3609972     Document Type: Article

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