Journal Title：Molecular Simulation

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.

分子模拟涵盖了与分子建模和模拟相关或重要的研究的所有方面。

Molecular Simulation 汇集了与模拟方法的应用相关的最重要的论文，以及对生物学、生物化学、化学、工程、材料科学、医学和物理学的模拟方法开发的原创性贡献。

其目的是提供一个论坛，让应用领域、方法论、学科以及学术和工业研究人员之间相互交流，并鼓励新的发展。

所有使用或开发基于统计力学/量子力学的模拟方法的研究人员都对分子模拟感兴趣。这包括分子动力学（MD、AIMD）、蒙特卡罗、与模拟相关的从头算方法、多尺度和粗粒度方法。