Molecular simulation, as a powerful tool for investigating science of matter at a molecular level, is widely applied in interdisciplinary fields between chemistry, physics, biology, engineering and material science. With explosive growth of computing capability, molecular simulation provides a platform from which scientists engineers can analyse, describe and model complex molecular systems and fascinating molecular behaviour and reaction from microscopic scale to macroscopic properties. Recent years witnessed a rapid rise of interests in molecular simulations from many Chinese universities, institutes and enterprises, driving scientific innovations and technological advances.

The theme of the conference in this year would be Molecular Simulation of Electrochemical Interfaces in Energy Storage and Catalysis.