Molecular Simulation is broadly recognised as an essential technique to solve challenging problems in materials sciences, chemical engineering, biochemistry, pharmacology as well as agriculture, environmental science and atmospheric research. Significant progress has been achieved in recent decades in molecular simulation theory, algorithms and applications. However, great challenges still exist in applying molecular simulations to complex systems of industrial interest. Despite applications in such multidisciplinary fields, the underlying fundamental problems for molecular simulations are common to all research. The 4th International Conference on Molecular Simulation (ICMS 2016) aims to bring experts in many fields of study to focus on common problems, to share ideas, and to facilitate collaborations.

ICMS 2016 is the fourth conference following three successful ones held in Japan in the past twenty years. The Asian continent has a rapidly growing community of researchers interested in molecular simulation techniques. Responding to the change, year 2016 observes the conference being expanded into a major international one hosted successively by Asian countries. The organizing committee of ICMS 2016 consists of experts from China, China Taiwan, Japan, Korea, Singapore, and Australia, with an advisory committee from some of the best research institutes in the world. ICMS 2016 is hosted in Shanghai, China, open to all researchers around the world. To reflect its multidisciplinary nature, the conference consists of six major themes ranging from theory and method development to materials, life sciences and industrial applications.

Shanghai is the largest city in China, and a major cosmopolitan centre representing both traditional and modern Chinese culture. Shanghai Jiao Tong University, one of the most renowned universities in China, is the leading sponsor for ICMS 2016.

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