Calculating potentials of mean force and diffusion coefficients from nonequilibrium processes without Jarzynski's equality

Journal of Chemical Physics

Volumn 124, Issue 6, 2006, Pages

  Kosztin, Ioan ^a   Barz, Bogdan ^a   Janosi, Lorant ^a  

^a UNIVERSITY OF MISSOURI   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

SINGLE-WALLED CARBON NANOTUBES (SWNTS); STOCHASTIC MODEL;

CARBON NANOTUBES; COMPUTER SIMULATION; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; THERMODYNAMIC PROPERTIES;

DIFFUSION;

CARBON NANOTUBE; WATER;

ALGORITHM; ARTICLE; CHEMISTRY; COMPUTER SIMULATION; CONFORMATION; DIFFUSION; ENERGY TRANSFER; THERMODYNAMICS;

ALGORITHMS; COMPUTER SIMULATION; DIFFUSION; ENERGY TRANSFER; MOLECULAR CONFORMATION; NANOTUBES, CARBON; THERMODYNAMICS; WATER;

EID: 33749551180     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2166379     Document Type: Article

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