Art

J-GLOBAL ID：202002222759019908   Reference number：20A0783889

Coarse-graining of polyisoprene melts using inverse Monte Carlo and local density potentials

逆モンテカルロ法と局所密度ポテンシャルを用いたポリイソプレンメルトの粗視化【JST・京大機械翻訳】

Author (4)： Shahidi Nobahar (Department of Chemical and Biomolecular Engineering, University of Tennessee, Knoxville, Tennessee 37996, USA) ,  Chazirakis Antonis (Department of Mathematics and Applied Mathematics, University of Crete, Heraklion GR-71110, Greece) ,  Harmandaris Vagelis (Department of Mathematics and Applied Mathematics, University of Crete, Heraklion GR-71110, Greece) ,  Doxastakis Manolis (Department of Chemical and Biomolecular Engineering, University of Tennessee, Knoxville, Tennessee 37996, USA)
Material： Journal of Chemical Physics  (J Chem Phys)
Volume： 152  Issue： 12  Page： 124902-124902-16  Publication year： 2020 
JST Material Number： C0275A  ISSN： 0021-9606  CODEN： JCPSA6  Document type： Article
Article type： 原著論文  Country of issue： United States (USA)  Language： ENGLISH (EN)

Abstract/Point： Bottom-up coarse-graining of p...

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Thesaurus term： order parameter ,  *melt ,  prototype ,  thermodynamics ,  interaction ,  temperature condition ,  *polyisoprene ,  steric conformation ,  dihedral angle ,  internuclear distance ,  parameterization ,  inclusion(object) ,  refinement ,  macromolecule ,  acceleration(ratio)

JST classification (2)： Electronic structure of molecules  (BH05010Q) ,  Physical chemistry in general  (CB01010X)

Terms in the title (4)： モンテカルロ法 ,  密度 ,  ポテンシャル ,  粗視化