What makes molecular dynamics work?

SIAM Journal on Scientific Computing

Volumn 31, Issue 2, 2008, Pages 1363-1378

  Skeel, Robert D ^a  

^a Purdue University   (United States)

Author keywords

Divergence free; Ergodic; Molecular dynamics; Perturbation; Statistical mechanics; Symplectic integrator

Indexed keywords

COMPUTATION THEORY; EQUATIONS OF MOTION; ERRORS; STATISTICAL MECHANICS;

CHAOTICS; DETERMINISTICS; DIVERGENCE FREE; EQUATION OF MOTION; ERGODICS; EXPONENTIAL GROWTH; MODEL ERRORS; NUMERICAL TREATMENTS; PERTURBATION; SYMPLECTIC INTEGRATORS;

MOLECULAR DYNAMICS;

EID: 67649565653     PISSN: 10648275     EISSN: None     Source Type: Journal    
DOI: 10.1137/070683660     Document Type: Article

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