Constant pressure-constant temperature molecular dynamics: A correct constrained NPT ensemble using the molecular virial

Molecular Physics

Volumn 101, Issue 6, 2003, Pages 765-778

  Kalibaeva, G ^a,b   Ferrario, M ^a   Ciccotti, G ^b  

^a UNIVERSITY OF MODENA AND REGGIO EMILIA   (Italy)

^b SAPIENZA UNIVERSITY OF ROME   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; EQUATIONS OF MOTION; HAMILTONIANS; INTEGRATION; PRESSURE; TEMPERATURE; THEOREM PROVING;

MOLECULAR DYNAMICS SIMULATION; MOLECULAR VIRIAL; PHASE SPACE DISTRIBUTION;

MOLECULAR DYNAMICS;

EID: 1542318184     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/0026897021000044025     Document Type: Article

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