Kesong Yang


Associate Professor

Research Focus
Ab-initio materials design; high-throughput electronic structure calculations

Research Summary

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.

Kesong Yang
Lab Website


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.