Do inverse Monte Carlo algorithms yield thermodynamically consistent interaction potentials?

Industrial and Engineering Chemistry Research

Volumn 45, Issue 16, 2006, Pages 5614-5618

  Jain, Sandeep ^a   Garde, Shekhar ^a   Kumar, Sanat K ^a  

^a Rensselaer Polytechnic Institute   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CORRELATION FUNCTIONS; INTERMOLECULAR POTENTIAL; INTERNAL ENERGY; INVERSE MONTE CARLO (IMC) SIMULATIONS;

ALGORITHMS; CORRELATION METHODS; MATHEMATICAL MODELS; MONTE CARLO METHODS; THERMODYNAMIC PROPERTIES;

STATISTICAL MECHANICS;

ALGORITHMS; CORRELATION METHODS; MATHEMATICAL MODELS; MONTE CARLO METHODS; STATISTICAL MECHANICS; THERMODYNAMIC PROPERTIES;

EID: 33748287092     PISSN: 08885885     EISSN: None     Source Type: Journal    
DOI: 10.1021/ie060042h     Document Type: Article

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