A test of systematic coarse-graining of molecular dynamics simulations: Thermodynamic properties

Journal of Chemical Physics

Volumn 137, Issue 16, 2012, Pages

  Fu, Chia Chun ^a   Kulkarni, Pandurang M ^a   Scott Shell, M ^a   Gary Leal, L ^a  

^a University of California   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMISTIC SIMULATIONS; BOLTZMANN INVERSION; CHAIN FLUIDS; COARSE GRAINING; COMPUTATIONAL COSTS; COMPUTATIONAL EFFORT; CUT-OFF LENGTH; FLUID PRESSURES; ISOTHERMAL COMPRESSIBILITY; LENNARD-JONES SYSTEMS; MESOSCALE; MESOSCALE MODEL; MESOSCOPIC LEVELS; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR SCALE; NUMBER OF DEGREES OF FREEDOM; OPTIMAL INTERACTIONS; PARTICLE SYSTEMS; RADIAL DISTRIBUTION FUNCTIONS; ROBUST MINIMIZATION; STATE POINTS; TRANSPORT BEHAVIOR; UNIQUENESS THEOREM;

ATOMS; COMPUTER SIMULATION; ITERATIVE METHODS; MOLECULAR DYNAMICS; THERMODYNAMIC PROPERTIES;

TRANSPORT PROPERTIES;

EID: 84868382791     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4759463     Document Type: Article

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