中文简介

分子模拟涵盖了与分子模型和模拟相关或重要的研究的所有方面。分子模拟汇集了生物学、生物化学、化学、工程学、材料科学、医学和物理学等领域有关模拟方法应用的最重要的论文，并对模拟方法的发展做出了最初的贡献。其目的是提供一个论坛，使应用领域、方法、学科以及学术和工业研究人员能够相互交流，并鼓励新的发展。分子模拟是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感兴趣的问题。这包括分子动力学(MD, AIMD)，蒙特卡罗，从头算方法相关的模拟，多尺度和粗粒化方法。

投稿网址：http://mc.manuscriptcentral.com/jenmol

英文简介

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.