Efficient multiple time scale molecular dynamics: Using colored noise thermostats to stabilize resonances

Journal of Chemical Physics

Volumn 134, Issue 1, 2011, Pages

  Morrone, Joseph A ^a   Markland, Thomas E ^a   Ceriotti, Michele ^b   Berne, B J ^a  

^a Columbia Universitay ^*  (United States)

^b ETH ZURICH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

ALANINE DIPEPTIDES; COLORED NOISE; HIGH-FREQUENCY MODE; MULTIPLE TIME SCALE; PHYSICAL FORCE; SLOW MODE; SLOW MOTION; TIME STEP; TWO-SAMPLE PROBLEMS;

AMINO ACIDS; COMPUTATIONAL EFFICIENCY; DYNAMICS; MULTIUSER DETECTION; RESONANCE; WHITE NOISE;

MOLECULAR DYNAMICS;

ARTICLE; MOLECULAR DYNAMICS; TEMPERATURE; TIME;

MOLECULAR DYNAMICS SIMULATION; TEMPERATURE; TIME FACTORS;

EID: 78651328167     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3518369     Document Type: Article

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