Get started
Author

Lixin Sun

Observed name: Sun, Lixin
Observed institutions: Microsoft (United States), Harvard University, Peking University, Microsoft Research (United Kingdom), State Key Laboratory of Nuclear Physics and Technology, Massachusetts Institute of Technology
ORCID: 0000-0002-7971-5222
Observed ORCIDs: 0000-0002-7971-5222, 0000-0002-8786-6469
OpenAlex ID: A5021080252
E(3)-equivariant graph neural networks for data-efficient and accurate interatomic potentials
2022 · Simon Batzner, Albert Musaelian, et al. · Nature Communications · 1,921
PDF
Learning local equivariant representations for large-scale atomistic dynamics
2023 · Albert Musaelian, Simon Batzner, et al. · Nature Communications · 690
PDF
A generative model for inorganic materials design
2025 · Claudio Zeni, Robert Pinsler, et al. · Nature · 511
PDF
On-the-fly active learning of interpretable Bayesian force fields for atomistic rare events
2020 · Jonathan Vandermause, Steven B. Torrisi, et al. · npj Computational Materials · 457
PDF
Improved chemical and electrochemical stability of perovskite oxides with less reducible cations at the surface
2016 · Nikolai Tsvetkov, Qiyang Lu, et al. · Nature Materials · 427
PDF
Edge dislocation slows down oxide ion diffusion in doped CeO2 by segregation of charged defects
2015 · Lixin Sun, Dario Marrocchelli, et al. · Nature Communications · 183
PDF
Dislocations in SrTiO3: Easy To Reduce but Not so Fast for Oxygen Transport
2015 · Dario Marrocchelli, Lixin Sun, et al. · Journal of the American Chemical Society · 171
Dilute Alloys Based on Au, Ag, or Cu for Efficient Catalysis: From Synthesis to Active Sites
2022 · Jennifer D. Lee, Jeffrey B. Miller, et al. · Chemical Reviews · 145
PDF
MatterSim: A Deep Learning Atomistic Model Across Elements, Temperatures and Pressures
2024 · Yang, Han, Hu, Chenxi, et al. · arXiv (Cornell University) · 114
PDF
Colossal oxygen vacancy formation at a fluorite-bixbyite interface
2020 · Dongkyu Lee, Xiang Gao, et al. · Nature Communications · 114
PDF
Evolution of Metastable Structures at Bimetallic Surfaces from Microscopy and Machine-Learning Molecular Dynamics
2020 · Jin Soo Lim, Jonathan Vandermause, et al. · Journal of the American Chemical Society · 73
PDF
Bayesian force fields from active learning for simulation of inter-dimensional transformation of stanene
2021 · Yu Xie, Jonathan Vandermause, et al. · npj Computational Materials · 71
PDF
MatterGen: a generative model for inorganic materials design
2023 · Zeni, Claudio, Pinsler, Robert, et al. · arXiv (Cornell University) · 66
PDF
Multitask Machine Learning of Collective Variables for Enhanced Sampling of Rare Events
2022 · Lixin Sun, Jonathan Vandermause, et al. · Journal of Chemical Theory and Computation · 49
PDF
The interplay and impact of strain and defect association on the conductivity of rare-earth substituted ceria
2019 · George F. Harrington, Lixin Sun, et al. · Acta Materialia · 42
Complexity of many-body interactions in transition metals via machine-learned force fields from the TM23 data set
2024 · Cameron J. Owen, Steven B. Torrisi, et al. · npj Computational Materials · 40
Transferability and Accuracy of Ionic Liquid Simulations with Equivariant Machine Learning Interatomic Potentials
2024 · Zachary A. H. Goodwin, Malia B. Wenny, et al. · The Journal of Physical Chemistry Letters · 34
PDF
Low-index mesoscopic surface reconstructions of Au surfaces using Bayesian force fields
2024 · Cameron J. Owen, Yu Xie, et al. · Nature Communications · 34
Threshold catalytic onset of carbon formation on CeO 2 during CO 2 electrolysis: mechanism and inhibition
2019 · Jiayue Wang, Sean R. Bishop, et al. · Journal of Materials Chemistry A · 34
PDF
Improving machine learning force fields for molecular dynamics simulations with fine-grained force metrics
2023 · Zun Wang, Hongfei Wu, et al. · The Journal of Chemical Physics · 25
Learning Local Equivariant Representations for Large-Scale Atomistic Dynamics
2022 · Musaelian, Albert, Batzner, Simon, et al. · arXiv (Cornell University) · 22
PDF
Micron-scale heterogeneous catalysis with Bayesian force fields from first principles and active learning
2022 · Johansson, Anders, Xie, Yu, et al. · arXiv (Cornell University) · 20
PDF
Influence of ion irradiation induced defects on mechanical properties of copper nanowires
2013 · Weina Li, Lixin Sun, et al. · Nuclear Instruments and Methods in Physics Research Section B Beam Interactions with Materials and Atoms · 20
Effect of Frustrated Rotations on the Pre-Exponential Factor for Unimolecular Reactions on Surfaces: A Case Study of Alkoxy Dehydrogenation
2019 · Wei Chen, Lixin Sun, et al. · The Journal of Physical Chemistry C · 17
PDF
Strain rate effect on dislocation climb mechanism via self-interstitials
2017 · Xiao-Zhi Tang, Ya-Fang Guo, et al. · Materials Science and Engineering A · 17
Works count: 74
Citation count: 5,366
H-index: 21
I10-index: 29
Year
Topic
Type