Yu Xie

Scalable emulation of protein equilibrium ensembles with generative deep learning

Sarah Lewis, Tim Hempel, José Jiménez-Luna et al. · Science · 2025 · 221 citations

Life Sciences, Bioinformatics, Biophysics +17

Active learning of reactive Bayesian force fields applied to heterogeneous catalysis dynamics of H/Pt

Jonathan Vandermause, Yu Xie, Jin Soo Lim et al. · Nature Communications · 2022 · 142 citations · Full text

Natural Sciences, Chemical Engineering, Chemistry +17

Evolution of Metastable Structures at Bimetallic Surfaces from Microscopy and Machine-Learning Molecular Dynamics

Jin Soo Lim, Jonathan Vandermause, M. A. Van Spronsen et al. · Journal of the American Chemical Society · 2020 · 75 citations · Full text

Natural Sciences, Chemistry, Materials Science +17

Progress in reaction mechanisms and catalyst development of ceria-based catalysts for low-temperature CO₂methanation

Yu Xie, Junjie Wen, Zonglin Li et al. · Green Chemistry · 2022 · 70 citations

Natural Sciences, Chemical Engineering, Chemistry +17

Immobilization of functional nano-objects in living engineered bacterial biofilms for catalytic applications

Xinyu Wang, Jiahua Pu, Yi Liu et al. · National Science Review · 2019 · 66 citations · Full text

Life Sciences, Bioengineering, Biotechnology +17