Prof. Xiaotai Wang at University of Colorado Denver was invited to visit Engineering Research Center for Nanomaterials on July 14^th. He gave an academic report with the title of “Doing Chemistry in Silico: Designing Molecules and Understanding Mechanisms”. Prof. Wang introduced his group works about the development of theoretical methods in the field of metal organic chemistry. The lecture focused on: 1) Novel structures and interesting organometallic complexes with ultrashort metal bonds; 2) The mechanism of reaction including homogeneous reaction, stereoselective olefin metathesis reaction, carbon-carbon coupling reaction and C-H activation reaction. Prof. Wang’s theoretical research provided unique ideas and insights for experimental workers.