Molecular Simulation

雜志介紹

Molecular Simulation雜志介紹

《Molecular Simulation》是一本以Multi-Language為主的未開放獲取國際優秀期刊，中文名稱分子模擬，本刊主要出版、報道化學-CHEMISTRY, PHYSICAL領域的研究動態以及在該領域取得的各方面的經驗和科研成果，介紹該領域有關本專業的最新進展，探討行業發展的思路和方法，以促進學術信息交流，提高行業發展。該刊已被國際權威數據庫SCIE收錄，為該領域相關學科的發展起到了良好的推動作用，也得到了本專業人員的廣泛認可。該刊最新影響因子為1.9，最新CiteScore 指數為3.8。

本刊近期中國學者發表的論文主要有：

• 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

英文介紹

Molecular Simulation雜志英文介紹

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.