معرفی
Asst. Prof. OU Pengfei is an Assistant Professor and NUS Presidential Young Professor in the Department of Chemistry at the National University of Singapore, Faculty of Science. He leads the AI for Chemistry (AI4Chem) research group, focusing on computational catalysis, machine learning, and materials science. Previously, he was a Research Associate at Northwestern University and a Postdoctoral Fellow at the University of Toronto under Prof. Edward H. Sargent, and earned his Ph.D. from McGill University.
Education:
- Ph.D., McGill University, 2020
- M.Eng., Central South University, 2015
- B.Eng., Central South University, 2012
Research interests include catalyst design for electrochemical reactions using ab initio DFT, molecular dynamics simulations, and AI-driven methods. He develops dynamic simulations of chemical processes under reaction conditions and machine learning tools for accelerated catalyst discovery. His work addresses challenges in energy and environmental applications such as CO2 reduction and hydrogen evolution.
Notable awards include the NUS Presidential Young Professorship (2024), Climate Positive Energy Postdoctoral Fellowship (2021), and Chinese Government Award for Outstanding Self-Financed Students Abroad (2020).
Labs/Teams: The AI4Chem group integrates theory-guided and data-driven approaches to advance computational catalysis, with three core research directions: (1) reaction mechanism exploration and catalyst optimization, (2) dynamic structure-performance relationships under reaction conditions, and (3) machine learning algorithms for high-throughput screening.
