Optimum bias for fast-switching free energy calculations

Computer Physics Communications

Volumn 179, Issue 1-3, 2008, Pages 41-45

  Oberhofer, Harald ^a   Dellago, Christoph ^a  

^a UNIVERSITY OF VIENNA   (Austria)

Author keywords

Biased sampling; Fast switching; Helmholtz free energy; Jarzynski equation

Indexed keywords

COMPUTATION THEORY; COMPUTER SIMULATION; FUNCTION EVALUATION; SWITCHING;

BIASED SAMPLING; FAST SWITCHING; JARZYNSKI EQUATION;

FREE ENERGY;

EID: 44649134762     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cpc.2008.01.017     Document Type: Article

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