Molecular Simulation

SCI SCIE

国际简称：MOL SIMULAT 参考译名：分子模拟

主要研究方向：化学-物理：原子、分子和化学物理非预警期刊审稿周期：约3.0个月

《分子模拟》(Molecular Simulation)是一本由Taylor and Francis Ltd.出版的以化学-物理：原子、分子和化学物理为研究特色的国际期刊，发表该领域相关的原创研究文章、评论文章和综述文章，及时报道该领域相关理论、实践和应用学科的最新发现，旨在促进该学科领域科学信息的快速交流。该期刊是一本未开放期刊，近三年没有被列入预警名单。

4区中科院分区
Q3 JCR分区
85 年发文量
2.1 IF影响因子
未开放 是否OA
50 H-index
1987 创刊年份
Monthly 出版周期
Multi-Language 出版语言

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.

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Molecular Simulation期刊信息

ISSN：0892-7022
出版语言：Multi-Language
是否OA：未开放
E-ISSN：1029-0435
出版地区：ENGLAND
是否预警：否
出版商：Taylor and Francis Ltd.
出版周期：Monthly
创刊时间：1987
开源占比：0.0328
Gold OA文章占比：2.46%
OA被引用占比：
出版国人文章占比：0
出版撤稿占比：
研究类文章占比：100.00%

Molecular Simulation CiteScore评价数据（2026年6月最新版）

CiteScore

SJR

SNIP

CiteScore 指数

4.1

0.304

0.541

学科类别	分区	排名	百分位
大类：Mathematics 小类：Modeling and Simulation	Q2	123 / 397	69%
大类：Mathematics 小类：Information Systems	Q2	207 / 519	60%
大类：Mathematics 小类：General Chemistry	Q2	178 / 402	55%
大类：Mathematics 小类：General Chemical Engineering	Q2	123 / 270	54%
大类：Mathematics 小类：Condensed Matter Physics	Q2	205 / 446	54%
大类：Mathematics 小类：General Materials Science	Q2	237 / 475	50%

名词解释：CiteScore 是衡量期刊所发表文献的平均受引用次数，是在 Scopus 中衡量期刊影响力的另一个指标。当年CiteScore 的计算依据是期刊最近4年（含计算年度）的被引次数除以该期刊近四年发表的文献数。例如，2022年的 CiteScore 计算方法为：2022年的 CiteScore =2019-2022年收到的对2019-2022年发表的文件的引用数量÷2019-2022年发布的文献数量注：文献类型包括：文章、评论、会议论文、书籍章节和数据论文。

Molecular Simulation中科院评价数据

《新锐期刊分区表》（2026年3月发布）

Top期刊	综述期刊	大类学科		小类学科
否	否	化学	4区	CHEMISTRY, PHYSICAL 物理化学 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL 物理：原子、分子和化学物理	4区 4区

Molecular Simulation JCR评价数据

2025-2026年最新版

按JCI指标学科分区	收录子集	分区	排名	百分位
学科：CHEMISTRY, PHYSICAL	SCIE	Q4	154 / 191	19.6
学科：PHYSICS, ATOMIC, MOLECULAR & CHEMICAL	SCIE	Q3	22 / 38	43.4
学科：CHEMISTRY, PHYSICAL	SCIE	Q3	116 / 191	39.53
学科：PHYSICS, ATOMIC, MOLECULAR & CHEMICAL	SCIE	Q3	24 / 38	38.16

Molecular Simulation历年数据统计

影响因子

中科院分区

Molecular Simulation中国学者发文选摘

1、The transition state theoretical model of molecular diffusion in DAC-type zeolit
Author: Zhao, Haiming; Zhang, Yimeng; Yang, Xiaofeng

Journal: MOLECULAR SIMULATION. 2026; Vol. 52, Issue 4, pp. 294-304. DOI: 10.1080/08927022.2026.2629966
2、Prediction of viscosity of magnesium chloride solution: molecular dynamics insights into ion clustering and transport propertie
Author: Wang, Jingxin; Chen, Hang; Song, Xingfu

Journal: MOLECULAR SIMULATION. 2026; Vol. 52, Issue 4, pp. 305-324. DOI: 10.1080/08927022.2026.2629969
3、Water splitting and hydrogen evolution from the reaction of UO molecule with nH2O (n=1, 2) in the gas phase: a computational stud
Author: Yang, Hu; He, Yuxuan; Qin, Jianwei; Pu, Zhen; Li, Fang

Journal: MOLECULAR SIMULATION. 2026; Vol. , Issue , pp. -. DOI: 10.1080/08927022.2026.2648728
4、Reactive force field (ReaxFF) molecular dynamics simulations and graph neural networks (GNN) prediction on antioxidant mechanisms of phenolic antioxidants in TMPTO lubricating oi
Author: Song, Wenjing; Liu, Xiaohan; Chen, Fengfei; Sun, Yingxin; Yin, Jiabin; Han, Sheng

Journal: MOLECULAR SIMULATION. 2026; Vol. , Issue , pp. -. DOI: 10.1080/08927022.2026.2649552
5、Molecular dynamics simulation-based analysis of the bonding performance of PU-CR modified asphalt sealant under immersion and drying condition
Author: Wang, Xiaodong; Yang, Nan; Sun, Quansheng; Wang, Bingheng; Guan, Yuxiang

Journal: MOLECULAR SIMULATION. 2026; Vol. , Issue , pp. -. DOI: 10.1080/08927022.2026.2655252
6、Molecular simulation study on the occurrence mode of water-soluble sodium in slit pores of bituminous coa
Author: Wen, Quanbao; Liu, Shengyu; Guo, Jianying

Journal: MOLECULAR SIMULATION. 2026; Vol. , Issue , pp. -. DOI: 10.1080/08927022.2026.2659916
7、Rigid-body molecular dynamics based on grid-based quantum charge density from frozen density matrice
Author: Xie, Bo; Zhang, Liguo; Zhang, Baichuan; Wang, Guodong; Luo, Jianxu

Journal: MOLECULAR SIMULATION. 2026; Vol. , Issue , pp. -. DOI: 10.1080/08927022.2026.2640048
8、C-S-H model evolution and its interface behaviour based on molecular dynamics metho
Author: Lei, Yingdong; Li, Gang; Wang, Aiqin; Yang, Yi; Yang, Kaizhi

Journal: MOLECULAR SIMULATION. 2026; Vol. , Issue , pp. -. DOI: 10.1080/08927022.2026.2629970