Molecular Simulation

杂志介绍

Molecular Simulation杂志介绍

《Molecular Simulation》是一本以Multi-Language为主的未开放获取国际优秀期刊，中文名称分子模拟，本刊主要出版、报道化学-CHEMISTRY, PHYSICAL领域的研究动态以及在该领域取得的各方面的经验和科研成果，介绍该领域有关本专业的最新进展，探讨行业发展的思路和方法，以促进学术信息交流，提高行业发展。该刊已被国际权威数据库SCIE收录，为该领域相关学科的发展起到了良好的推动作用，也得到了本专业人员的广泛认可。该刊最新影响因子为1.9，最新CiteScore 指数为3.8。

本刊近期中国学者发表的论文主要有：

• Identification of potential CAMKK2 inhibitors based on virtual screening and molecular dynamics simulation

  Author: Fe, Le; Zhao, Linan; Liang, Meichen; Ran, Kun; Fu, Jing; Qiu, Haoyu; Li, Fei; Shu, Mao

• A comprehensive theoretical investigation on the thiophene hydrodesulphurisation mechanism over sulphided Co-Mo catalysts supported by ZSM-5, FAU, Beta and MCM-22 zeolites

  Author: Yin, Jiabin; Xia, Deping; Sun, Huai; Li, Suyang; Sun, Yingxin; Han, Sheng; Li, Qianggen

• Determining the flotation upgrading effect of shale oil on lignite via molecular dynamics simulation and experiment comparisons

  Author: Guo, Xuanchen; He, Yaqun; Wang, Jie; Zhou, Rui

• Tunable mechanical properties of vulcanised styrene-butadiene rubber by regulating cross-linked molecular network structures

  Author: Deng, Shengwei; Xu, Wentao; Zhang, Jing; Xu, Yin-gen

英文介绍

Molecular Simulation杂志英文介绍

Molecular Simulation covers all aspects of research related to, or of importance to, molecular modelling and simulation.

Molecular Simulation brings together the most significant papers concerned with applications of simulation methods, and original contributions to the development of simulation methodology from biology, biochemistry, chemistry, engineering, materials science, medicine and physics.

The aim is to provide a forum in which cross fertilization between application areas, methodologies, disciplines, as well as academic and industrial researchers can take place and new developments can be encouraged.

Molecular Simulation is of interest to all researchers using or developing simulation methods based on statistical mechanics/quantum mechanics. This includes molecular dynamics (MD, AIMD), Monte Carlo, ab initio methods related to simulation, multiscale and coarse graining methods.