Prof. Qingfeng Ge has given a lecture titled "Computational catalysis for energy-related applications" in the Conference Room on the First Floor of Energy Building on July 16th, 2018. The lecture was directed by Prof. Feng Wang.
Sustainable development of the world requires efficient processes and materials that can convert sustainable resources into fuels and chemicals. The design and development of robust heterogeneous catalysts for practical applications have been hindered by our limited understanding of the underlying physical/chemical processes that govern the catalytic transformations. Recent advances in DFT-based electronic methods, molecular simulations and the availability of computing power provide unprecedented ability to track these molecular transformations and how they proceed at specific sites and within particular environments. This talk discussed energy-related research over the past several years, mainly focusing on catalysis related to CO2 and biomass conversion.