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"au:"Yu Xie"" — arXiv2 Search
Showing 1–6 of 6 results
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May 29, 2024
Thermodynamically Informed Multimodal Learning of High-Dimensional Free Energy Models in Molecular Coarse Graining
Aug 14, 2023
Stability, mechanisms and kinetics of emergence of Au surface reconstructions using Bayesian force fields
Jun 1, 2023
Unraveling the Catalytic Effect of Hydrogen Adsorption on Pt Nanoparticle Shape-Change
Feb 25, 2023
Complexity of Many-Body Interactions in Transition Metals via Machine-Learned Force Fields from the TM23 Data Set
Apr 26, 2022
Micron-scale heterogeneous catalysis with Bayesian force fields from first principles and active learning
Aug 26, 2020
Bayesian Force Fields from Active Learning for Simulation of Inter-Dimensional Transformation of Stanene