Molecular Simulation

期刊简介：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.

【译文】分子模拟涵盖了与分子建模和模拟相关或对其重要的所有研究方面。分子模拟汇集了与模拟方法应用相关的最显著论文，以及来自生物学、生物化学、化学、工程、材料科学、医学和物理学对模拟方法发展的原创贡献。目标是提供一个论坛，在这个论坛上，应用领域、方法、学科以及学术和工业研究人员之间的交叉融合可以发生，并鼓励新的发展。分子模拟对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。这包括分子动力学（MD，AIMD）、蒙特卡洛、与模拟相关的从头计算方法、多尺度和方法。