Dr. Yongsheng Zhang, the professor of the Institute of Solid State Physics, CAS.
The research in my group is centered on computational materials science, and specifically first-principles simulation tools. These computational methods have been developed as major fields, which can be competed with experimental measurements in the advanced functional materials hunting. We are currently focusing on materials for alternative energies and sustainability (hydrogen, themoelectrics, and catalysis): the discovery of novel hydrogen storage materials, enhancement thermoelectric performance, understanding the mechanism of atoms/molecules adsorption at surfaces and the theoretical prediction of new materials. Another key research interest involves methodologies for bridging time and length scale in materials science. To avoid the computationally quite demanding first-principles calculations, we couple first-principles with Monte-Carlo methods and mean-filed methods. These types of hybrid methods are yielding truly predictive models of microstructural evolution and mechanical properties in novel materials.
Students and postdocs with strong background in physics, material sciences and programming are highly welcome to join our group.