Improving fast-switching free energy estimates by dynamical freezing

Physical Review E - Statistical, Nonlinear, and Soft Matter Physics

Volumn 80, Issue 4, 2009, Pages

  Nicolini, Paolo ^a,b   Chelli, Riccardo ^a,b  

^a UNIVERSITY OF FLORENCE   (Italy)

^b UNIVERSITY OF FLORENCE   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC MASS; COMPUTATIONAL COSTS; ENSEMBLE AVERAGES; FREE-ENERGY DIFFERENCE; NON EQUILIBRIUM; REACTION SITES; SIMPLE MODEL; STEERED MOLECULAR DYNAMICS SIMULATIONS; WHOLE SYSTEMS;

FREE ENERGY; FREEZING; MOLECULAR DYNAMICS; REACTION KINETICS; SIMULATORS;

COST BENEFIT ANALYSIS;

EID: 70449459082     PISSN: 15393755     EISSN: 15502376     Source Type: Journal    
DOI: 10.1103/PhysRevE.80.041124     Document Type: Article

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