National Nanotechnology Infrastructure Network

National Nanotechnology Infrastructure Network

Serving Nanoscale Science, Engineering & Technology

Zhiyong Zhang


Stanford University

Computational Scientist

Development and application of atomistic simulation tools for chemistry, material sciences, and biological systems, with expertise in DFT, highly accurate electronic structure methods (CI, MP, CC, QMC), force field methods, electronic and spin transport calculations, and high performance computing. Interest and experience include photovoltaic, hydrogen storage, Li-ion battery cathode material, high-k material, topological insulators, heavy element chemistry for nuclear energy and environmental remediation, homogeneous and heterogeneous catalysis, as well as physical principles and engineering interfaces for biological systems.