Coarse-grained intermolecular potentials derived from the effective fragment potential: Application to water, benzene, and carbon tetrachloride

Challenges and Advances in Computational Chemistry and Physics

Volumn 7, Issue , 2009, Pages 197-218

  Pranami, Gaurav ^a   Slipchenko, Lyudmila ^b   Lamm, Monica H ^a   Gordon, Mark S ^b  

^a Iowa State University of Science and Technology   (United States)

^b IOWA STATE UNIVERSITY   (United States)

Author keywords

Coarse graining; Effective fragment potential method; Force matching; Molecular dynamics; Multiscale modeling; Radial distribution functions

Indexed keywords

EID: 85073165638     PISSN: 25424491     EISSN: 25424483     Source Type: Book Series    
DOI: 10.1007/978-1-4020-9956-4_8     Document Type: Chapter

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