Multiscale coarse-grained simulations of ionic liquids: comparison of three approaches to derive effective potentials†
Abstract
A coarse-grained model, with three sets of effective pair potentials for
* Corresponding authors
a
Institute of Theoretical Chemistry, State Key Laboratory of Theoretical and Computational Chemistry, Jilin University, Changchun 130023, China
E-mail:
luzhy@jlu.edu.cn
b
Department of Materials and Environmental Chemistry, Arrhenius Laboratory, Stockholm University, Stockholm S-106 91, Sweden
E-mail:
alexander.lyubartsev@mmk.su.se, aatto.laaksonen@mmk.su.se
A coarse-grained model, with three sets of effective pair potentials for
Y. Wang, A. Lyubartsev, Z. Lu and A. Laaksonen, Phys. Chem. Chem. Phys., 2013, 15, 7701 DOI: 10.1039/C3CP44108C
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