Dr. Jinxun Liu, from the University of Michigan, Ann Arbor, visited our lab today. He gave an IRCE2 Lecture named The Theoretical Study of the Activity of Nano-catalyst.
He uses density functional theory based on quantum mechanics and massively parallel computing to research the catalytic reactions which have national strategic significance. In view of the atomic scale, he explores crystal phase structure of nanomaterials by using theoretic calculation, especially the control of the reaction activity by the structure of nanomaterials under different reaction atmosphere. He points out the general strategies to improve the activity of nanomaterials at the microscale.
Here are some pictures: