Professor Yang’s research focuses on the applications of ab-initio computational approach in the design and development of functional materials and material interfaces as well as the development of high-throughput computational techniques. Several representative research examples include the high-throughput computational design of topological insulators, perovskite-oxide-based two-dimensional electron gas systems, organic-inorganic hybrid halide semiconductors for optoelectronics, interfacial perpendicular magnetic anisotropy at Heusler-alloy-based interfaces, and the development of algorithms and open-source python library to build periodic grain boundary structures.
Dr. Yang received his B.S. degree and Ph.D. degree in Physics from Shandong University, China, in 2010 and worked as a visiting student researcher at the National University of Singapore in 2009. He was a postdoctoral researcher at Duke University from 2010 to 2013 and co-developed AFLOW for automatic materials discovery as one member of the AFLOW Consortium.