Dr. Shengguang Wang is a staff scientist in Catalysis and Transient Kinetics group of INL’s Energy & Environment Science & Technology Directorate. His expertise is the cross-disciplinary investigation and computational catalyst design for heterogeneous and homogeneous catalytic reactions in energy industry. To achieve this goal, he has applied first-principle electronic structure calculation (DFT) to catalyst materials, multi-scale kinetic modeling, including microkinetic modeling, kinetic Monte Carlo simulation, transient kinetics modeling to chemical reactions, and virtual TAP reactor modeling to realistic lab system. He has been developing catalyst design framework by using statistic methods and machine-learning models to analyze the massive data and information obtained with the above physics-based models and experiments.

Shengguang Wang’s research interest is to improve the energy efficiency in Net-zero chemical reactions by rational design of catalyst and reaction. He also put efforts to bridge up the gap between computational and experimental studies.