Developing the natural gas resources in the deep sea is an important means for the advancement of clean energy. However

formation of natural gas hydrate brings serious challenges to the drilling operations. Hydrate kinetic inhibitor is a kind of polymer compound which can solve the problem of pipeline blockage. Molecular dynamics (MD) simulation can provide a good theoretical guide for studies of hydrate inhibitors. This paper reviewed the methods of evaluating performance of the inhibitors by using MD in recent years

analyzed possible inhibition modes and mechanism

and studied the factors of the effect of inhibitors and developing of new inhibitors. The prospects for the MD simulation research in the field of gas hydrate inhibitors are also put forward.