Novel algorithms for massively parallel, long-term, simulation of molecular dynamics systems

Advances in Engineering Software

Volumn 29, Issue 3-6, 1998, Pages 441-450

  Fijany, Amir ^a   Çagin, Tahir ^b   Jaramillo Botero, Andres ^b   Goddard III, William ^b  

^a CALIFORNIA INSTITUTE OF TECHNOLOGY   (United States)

^b CALIFORNIA INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

Constrained equations of motion; Massively parallel computation; Molecular dynamics simulation

Indexed keywords

COMPUTATIONAL COMPLEXITY; COMPUTER ARCHITECTURE; COMPUTER SIMULATION; CONSTRAINT THEORY; EQUATIONS OF MOTION; INTEGRATION; MOLECULAR DYNAMICS; MOLECULAR VIBRATIONS; OSCILLATIONS; PARALLEL PROCESSING SYSTEMS;

MASSIVELY PARALLEL COMPUTING; MOLECULAR DYNAMICS SIMULATION;

PARALLEL ALGORITHMS;

EID: 0032041150     PISSN: 09659978     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0965-9978(98)00053-2     Document Type: Article

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