Wenbin Xu is a NESAP for learning postdoc fellow at NERSC with research interests in AI for chemistry and catalysis. His current research focuses on leveraging large-scale deep-learning techniques to explore chemical reaction networks and discover high-performing catalysts. He collaborates with domain scientists from The Center for High Precision Patterning Science at Lawrence Berkeley Lab and the Open Catalyst Project team at Carnegie Mellon University and Meta AI.
Prior to joining NERSC, Wenbin Xu received his Ph.D. in computational chemistry from the Technical University of Munich and the Fritz Haber Institute of the Max Planck Society in 2022. His doctoral research focused on developing physics-inspired machine-learning models for heterogeneous catalyst discovery. In addition, Wenbin’s research also involved the development of high-throughput workflows, multi-objective optimization methods, and the utilization of high-performance computing for chemistry.