Wenbin Xu
Postdoc - Employee
National Energy Research Scientific Computing Center (NERSC)
Science Engagement & Workflows Dept.
Data & AI Services Group
Recent Publications
Discovering High Entropy Alloy Electrocatalysts in Vast Composition Spaces with Multiobjective Optimization
Authors: Xu, W; Diesen, E; He, T; Reuter, K; Margraf, JT
March 2024, Journal of the American Chemical Society
Graphene as an Adsorption Template for Studying Double Bond Activation in Catalysis
Authors: Boix, V; Xu, W; D’Acunto, G; Stubbe, J; Gallo, T; Strømsheim, MD
August 2022, Journal of Physical Chemistry C
Predicting binding motifs of complex adsorbates using machine learning with a physics-inspired graph representation
Authors: Xu, W; Reuter, K; Andersen, M
July 2022, Nature Computational Science
Spin-informed universal graph neural networks for simulating magnetic ordering.
Authors: Xu, W; Sanspeur, RY; Kolluru, A; Deng, B; Harrington, P; Farrell, S
July 2025, Proceedings of the National Academy of Sciences of the United States of America
More By Wenbin Xu