Over the past decade, the field of topological quantum states has boosted the frontline research in condensed matter physics. The prediction and discovery of topological materials have stimulated the rapid development of this field. Chemistry insights are found to be rather helpful to discover topological materials and to realize beautiful concepts in physics, by employing the ab initio computation method. I will talk about Weyl semimetal materials with topological Fermi arcs on the surface and exotic transport phenomena in the bulk