Multi-property fitting and parameterization of a coarse grained model for aqueous surfactants

Molecular Simulation

Volumn 33, Issue 1-2, 2007, Pages 27-36

  Shinoda, W ^a,b   Devane, R ^a,c   Klein, M L ^a  

^a UNIVERSITY OF PENNSYLVANIA   (United States)

^b NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

^c NATIONAL SCIENCE FOUNDATION   (United States)

Author keywords

Coarse graining; Hydration free energy; Molecular dynamics; Polyethylene glycol; Surface tension; Surfactant

Indexed keywords

COARSENING; COMPUTER SIMULATION; FREE ENERGY; HYDRATION; MOLECULAR DYNAMICS; PARAMETERIZATION; POLYETHYLENE GLYCOLS; SURFACE TENSION;

ANGLE DISTRIBUTIONS; COARSE GRAINING; HYDRATION FREE ENERGY; WATER SYSTEMS;

SURFACE ACTIVE AGENTS;

EID: 33947408324     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927020601054050     Document Type: Conference Paper

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