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Journal of Chemical Physics

Volumn 134, Issue 21, 2011, Pages

Phonostat: Thermostatting phonons in molecular dynamics simulations

(3) Raghunathan, Rajamani a Greaney, P Alex a Grossman, Jeffrey C a

a Massachusetts Institute of Technology Cambridge (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANHARMONIC MODES; ANHARMONIC OSCILLATORS; ATOMIC VELOCITIES; AVERAGE TEMPERATURE; DAMPING PARAMETERS; DEGREE OF FREEDOM; ENERGY EXCHANGES; EXTERNAL DRIVING; INTERNAL DEGREES OF FREEDOM; MODAL ENERGY; MOLECULAR DYNAMICS SIMULATIONS; TIME STEP; TOTAL ENERGY;

ALGORITHMS; CARBON NANOTUBES;

MOLECULAR DYNAMICS;

EID: 79958855295 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.3597605 Document Type: Article

Times cited : (4)

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