Automatic, optimized interface placement in forward flux sampling simulations

Journal of Chemical Physics

Volumn 138, Issue 16, 2013, Pages

  Kratzer, Kai ^a   Arnold, Axel ^a   Allen, Rosalind J ^b  

^a UNIVERSITY OF STUTTGART   (Germany)

^b UNIVERSITY OF EDINBURGH   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ALTERNATIVE METHODS; COMPLEX TRAJECTORIES; INTERFACE PLACEMENTS; NONEQUILIBRIUM SYSTEM; OPTIMAL LOCATIONS; SAMPLING SIMULATION; USER INTERVENTION; YUKAWA PARTICLES;

OPTIMIZATION; PHASE SPACE METHODS;

INTERFACE STATES;

EID: 84877257195     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4801866     Document Type: Article

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48. 0 it is often best to store configurations every m crossings (with m ≈ 10) rather than at every crossing - see Ref. for further practical details.