Molecular dynamics simulations in a NpT ensemble using non-periodic boundary conditions

Chemical Physics Letters

Volumn 483, Issue 1-3, 2009, Pages 177-181

  Brancato, Giuseppe ^a   Rega, Nadia ^a   Barone, Vincenzo ^b,c  

^a UNIVERSITY OF NAPLES FEDERICO II   (Italy)

^b SCUOLA NORMALE SUPERIORE   (Italy)

^c AREA DELLA RICERCA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

BOUNDARY CONDITIONS; FREE ENERGY; LIQUIDS; MOLECULAR DYNAMICS; PHASE SPACE METHODS;

AQUEOUS SOLUTIONS; HELMHOLTZ FREE ENERGY; MICROSCOPIC SYSTEM; MINIMUM ENERGY PRINCIPLE; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR SIMULATIONS; PERIODIC BOUNDARY CONDITIONS; PHASE SPACES; PRESSURE COUPLING; PURE LIQUIDS;

SIMULATORS;

EID: 84962362273     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2009.10.069     Document Type: Article

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