New version of Monte Carlo expanded ensemble method for precise calculations of free energy difference

Molecular Simulation

Volumn 32, Issue 6, 2006, Pages 437-442

  Burov, S V ^a   Vorontsov Velyaminov, P N ^a   Piotrovskaya, E M ^a  

^a ST PETERSBURG STATE UNIVERSITY   (Russian Federation)

Author keywords

Expanded ensemble; Free energy calculation; Helmholz FED; Monte Carlo

Indexed keywords

ALGORITHMS; COMPUTER SIMULATION; MOLECULAR STRUCTURE; MONTE CARLO METHODS;

FREE ENERGY DIFFERENCE (FED); HELMHOLZ FED; MONTE CARLO (MC) EXPANDED ENSEMBLE (EE); POLYMER CHAINS;

FREE ENERGY;

EID: 33748564618     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927020600788898     Document Type: Article

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