Onsager-Machlup action-based path sampling and its combination with replica exchange for diffusive and multiple pathways

Journal of Chemical Physics

Volumn 132, Issue 13, 2010, Pages

  Fujisaki, Hiroshi ^a,b   Shiga, Motoyuki ^c   Kidera, Akinori ^b,d  

^a NIPPON MEDICAL SCHOOL   (Japan)

^b RIKEN   (Japan)

^c JAPAN ATOMIC ENERGY AGENCY   (Japan)

^d YOKOHAMA CITY UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ACTION FUNCTIONAL; CANONICAL ENSEMBLE; CARTESIAN SPACE; CONVENTIONAL TRANSITIONS; DISCRETIZATIONS; ENERGY LANDSCAPE; EQUILIBRIUM THEORY; FINITE TEMPERATURES; FOURIER; FOURIER COMPONENTS; FOURIER SPACE; LANGEVIN EQUATION; MULTIPLE PATHWAYS; ONSAGER; PATH SAMPLING; PATH SAMPLING METHOD; PATH-INTEGRAL SIMULATION; QUANTUM-MECHANICAL SYSTEM; REPLICA EXCHANGE; REPLICA EXCHANGE METHOD; SAMPLING TECHNIQUE; TWO-DIMENSIONAL SYSTEMS;

DIFFERENTIAL EQUATIONS; QUANTUM THEORY;

FOURIER TRANSFORMS;

ALGORITHM; ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CONFORMATION; DIFFUSION; THERMODYNAMICS;

ALGORITHMS; DIFFUSION; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR CONFORMATION; THERMODYNAMICS;

EID: 77954583994     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3372802     Document Type: Article

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