A separated form of Nosé dynamics for constant temperature and pressure simulation

Computer Physics Communications

Volumn 148, Issue 2, 2002, Pages 206-213

  Leimkuhler, Ben ^a  

^a UNIVERSITY OF LEICESTER   (United Kingdom)

Author keywords

Andersen constant pressure method; Hamiltonian systems; Molecular dynamics; Nos thermostat; Symplectic integrators

Indexed keywords

COMPUTER SIMULATION; HAMILTONIANS; KINETIC ENERGY; MOLECULAR DYNAMICS; PRESSURE EFFECTS; THERMAL EFFECTS;

PRESSURE SIMULATION;

THERMOSTATS;

EID: 0037107785     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0010-4655(02)00554-4     Document Type: Article

References (23)