Accurate and efficient methods for modeling colloidal mixtures in an explicit solvent using molecular dynamics

Computer Physics Communications

Volumn 179, Issue 5, 2008, Pages 320-329

  in 't Veld, Pieter J ^a   Plimpton, Steven J ^a   Grest, Gary S ^a  

^a SANDIA NATIONAL LABORATORIES   (United States)

Author keywords

Colloid mixtures; Molecular dynamics; Neighbor algorithm

Indexed keywords

ALGORITHMS; CORRELATION METHODS; FLUIDS; FUNCTION EVALUATION; GRAIN SIZE AND SHAPE; MIXTURES; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; MOLECULES; NANOPARTICLES; NANOSTRUCTURED MATERIALS; NANOSTRUCTURES; PARALLEL ALGORITHMS; PARTICLE SIZE; QUANTUM CHEMISTRY; SOLVENTS;

COLLOIDAL MIXTURES; COLLOIDAL PARTICLES; COLLOIDAL SUSPENSIONS; DIFFUSION CONSTANTS; EFFICIENT METHODS; INTERACTION POTENTIALS; MODIFIED ALGORITHMS; MOLECULAR DYNAMICS ALGORITHMS; NANO-METER-SCALE; NANOPARTICLE SIZES; NEIGHBOR-FINDING; NEW ALGORITHM; PAIR-CORRELATION FUNCTIONS; PARALLEL COMMUNICATIONS; PARALLEL MOLECULAR-DYNAMICS; PARALLEL SCALABILITY; SINGLE PROCESSORS; SOLVENT PARTICLES; WIDE-RANGE;

DYNAMICS;

EID: 48149090008     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cpc.2008.03.005     Document Type: Article

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