Simple Algorithm for Isothermal-Isobaric Molecular Dynamics

Journal of Computational Chemistry

Volumn 25, Issue 5, 2004, Pages 749-761

  Stern, Harry A ^a  

^a Department of Computer Science and School of Operations Research and Information Engineering   (United States)

Author keywords

Ensemble integration algorithm; Isothermal isobaric; Molecular dynamic simulations

Indexed keywords

ENSEMBLE INTEGRATION ALGORITHMS; ISOTHERMAL-ISOBARIC; MOLECULAR DYNAMIC SIMULATIONS;

ALGORITHMS; COMPUTER SIMULATION; CONSTRAINT THEORY; HAMILTONIANS; INTEGRATION; MATHEMATICAL MODELS; MONTE CARLO METHODS; THERMODYNAMICS;

MOLECULAR DYNAMICS;

EID: 1842688094     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.20001     Document Type: Review

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