An Introduction to Coarse-Graining Approaches: Linking Atomistic and Mesoscales

Process Systems Engineering

Volumn 6, Issue , 2011, Pages 43-84

  Chennamsetty, N ^a   Bock, H ^b   Lisal M ^c,d   Brennan, J K ^e  

^a Massachusetts Institute of Technology   (United States)

^b HERIOT WATT UNIVERSITY   (United Kingdom)

^c INSTITUTE OF CHEMICAL PROCESS FUNDAMENTALS   (Czech Republic)

^d J E PURKINJE UNIVERSITY   (Czech Republic)

^e U S ARMY RESEARCH LABORATORY   (United States)

Author keywords

Coarse grain model; Coarse graining approaches; Dissipative particle dynamics (DPD) technique; Dynamic mean field density functional theory (DDFT); Iterative Boltzmann inversion (IBI); Potential of mean force (PMF)

Indexed keywords

EID: 84885542902     PISSN: None     EISSN: None     Source Type: Book    
DOI: 10.1002/9783527631315.ch2     Document Type: Chapter

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