Molecular Simulation, Volume 42, Issue 10 (2016)

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Molecular Simulation, Volume 42, Issue 10 (2016)

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Frontiers of Molecular Simulation in China

Editorial

Editorial
Frontiers of Molecular Simulation in China
Daojian Cheng
Page: 783
Published online: 13 Apr 2016
CitationforFrontiers of Molecular Simulation in China | Full Text | PDF (107.5 KB)
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Free Access

Special Issue: Frontiers of Molecular Simulation in China

Nanomaterial-oriented molecular simulations of ion behaviour in aqueous solution under nanoconfinement
Yudan Zhu, Yang Ruan, Yumeng Zhang, Linghong Lu & Xiaohua Lu
Pages: 784-798
Published online: 23 Mar 2016
AbstractforNanomaterial-oriented molecular simulations of ion behaviour in aqueous solution under nanoconfinement | Full Text | References | PDF (2.4 MB)
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Recent progresses of simulations on passive membrane permeations in China
Hui-Yuan Zhang, Qin Xu, Fang Li, Pei-Chuan Tian, Ying-Hao Wang, Yi Xiong, Yong-Hong Zhang & Dong-Qing Wei
Pages: 799-808
Published online: 04 Apr 2016
AbstractforRecent progresses of simulations on passive membrane permeations in China | Full Text | References | PDF (1.7 MB)
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Comprehensive genetic algorithm for ab initio global optimisation of clusters
Jijun Zhao, Ruili Shi, Linwei Sai, Xiaoming Huang & Yan Su
Pages: 809-819
Published online: 04 Apr 2016
AbstractforComprehensive genetic algorithm for ab initio global optimisation of clusters | Full Text | References | PDF (2.2 MB)
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Open Access
Some polarisable force fields for molecular dynamics simulations of lipids, and bilayers
Wei Guo, Liwei Cheng, Huiying Chu, Liaoran Cao, Depeng Zhang, Jiahui Liu, Peijun Xu, Xuefang Zheng & Guohui Li
Pages: 820-826
Published online: 08 Apr 2016
AbstractforSome polarisable force fields for molecular dynamics simulations of lipids, and bilayers | Full Text | References | PDF (709.5 KB)
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Molecular modelling of translocation of biomolecules in carbon nanotubes: method, mechanism and application
Lijun Liang, Er-Yu Chen, Jia-Wei Shen & Qi Wang
Pages: 827-835
Published online: 06 Apr 2016
AbstractforMolecular modelling of translocation of biomolecules in carbon nanotubes: method, mechanism and application | Full Text | References | PDF (1.3 MB)
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Characterising the morphology and efficiency of polymer solar cell by experiments and simulations
Yujin Ji, Chunmiao Du, Xiaojuan Xu, Tingjun Hou & Youyong Li
Pages: 836-845
Published online: 13 Apr 2016
AbstractforCharacterising the morphology and efficiency of polymer solar cell by experiments and simulations | Full Text | References | PDF (2.3 MB)
  • 541 Views
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Understanding enzyme reactions using enhanced sampling techniques
Liaoran Cao, Liwei Cheng, Tianbao Tang, Jiahui Liu, Depeng Zhang, Peijun Xu & Guohui Li
Pages: 846-854
Published online: 13 Apr 2016
AbstractforUnderstanding enzyme reactions using enhanced sampling techniques | Full Text | References | PDF (812.6 KB)
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Article
Drop movements and replacement on surface driven by shear force via hybrid atomistic–continuum simulations
Guangzhi Liu, Jianying Zhang & Moran Wang
Pages: 855-862
Published online: 06 Apr 2016
AbstractforDrop movements and replacement on surface driven by shear force via hybrid atomistic–continuum simulations | Full Text | References | PDF (1.3 MB)
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