Lixin Sun 孙励新
Lixin Sun 孙励新
Microsoft Research, Cambridge, UK
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E (3)-equivariant graph neural networks for data-efficient and accurate interatomic potentials
S Batzner, A Musaelian, L Sun, M Geiger, JP Mailoa, M Kornbluth, ...
Nature communications 13 (1), 2453, 2022
Improved chemical and electrochemical stability of perovskite oxides with less reducible cations at the surface
N Tsvetkov, Q Lu, L Sun, EJ Crumlin, B Yildiz
Nature materials 15 (9), 1010-1016, 2016
Learning local equivariant representations for large-scale atomistic dynamics
A Musaelian, S Batzner, A Johansson, L Sun, CJ Owen, M Kornbluth, ...
Nature Communications 14 (1), 579, 2023
On-the-fly active learning of interpretable Bayesian force fields for atomistic rare events
J Vandermause, SB Torrisi, S Batzner, Y Xie, L Sun, AM Kolpak, ...
npj Computational Materials 6 (1), 20, 2020
Edge dislocation slows down oxide ion diffusion in doped CeO2 by segregation of charged defects
L Sun, D Marrocchelli, B Yildiz
Nature communications 6 (1), 6294, 2015
Dislocations in SrTiO3: Easy To Reduce but Not so Fast for Oxygen Transport
D Marrocchelli, L Sun, B Yildiz
Journal of the American Chemical Society 137 (14), 4735-4748, 2015
Dilute alloys based on Au, Ag, or Cu for efficient catalysis: from synthesis to active sites
JD Lee, JB Miller, AV Shneidman, L Sun, JF Weaver, J Aizenberg, ...
Chemical Reviews 122 (9), 8758-8808, 2022
Evolution of metastable structures at bimetallic surfaces from microscopy and machine-learning molecular dynamics
JS Lim, J Vandermause, MA Van Spronsen, A Musaelian, Y Xie, L Sun, ...
Journal of the American Chemical Society 142 (37), 15907-15916, 2020
Bayesian force fields from active learning for simulation of inter-dimensional transformation of stanene
Y Xie, J Vandermause, L Sun, A Cepellotti, B Kozinsky
npj Computational Materials 7 (1), 40, 2021
Colossal oxygen vacancy formation at a fluorite-bixbyite interface
D Lee, X Gao, L Sun, Y Jee, J Poplawsky, TO Farmer, L Fan, EJ Guo, ...
Nature communications 11 (1), 1371, 2020
The interplay and impact of strain and defect association on the conductivity of rare-earth substituted ceria
GF Harrington, L Sun, B Yildiz, K Sasaki, NH Perry, HL Tuller
Acta Materialia 166, 447-458, 2019
Multitask machine learning of collective variables for enhanced sampling of rare events
L Sun, J Vandermause, S Batzner, Y Xie, D Clark, W Chen, B Kozinsky
Journal of Chemical Theory and Computation 18 (4), 2341-2353, 2022
Mattergen: a generative model for inorganic materials design
C Zeni, R Pinsler, D Zügner, A Fowler, M Horton, X Fu, S Shysheya, ...
arXiv preprint arXiv:2312.03687, 2023
Threshold catalytic onset of carbon formation on CeO 2 during CO 2 electrolysis: mechanism and inhibition
J Wang, SR Bishop, L Sun, Q Lu, G Vardar, R Bliem, N Tsvetkov, ...
Journal of materials chemistry A 7 (25), 15233-15243, 2019
Influence of ion irradiation induced defects on mechanical properties of copper nanowires
W Li, L Sun, J Xue, J Wang, H Duan
Nuclear Instruments and Methods in Physics Research Section B: Beam …, 2013
Improving machine learning force fields for molecular dynamics simulations with fine-grained force metrics
Z Wang, H Wu, L Sun, X He, Z Liu, B Shao, T Wang, TY Liu
The Journal of chemical physics 159 (3), 2023
Micron-scale heterogeneous catalysis with Bayesian force fields from first principles and active learning
A Johansson, Y Xie, CJ Owen, JS Lim, L Sun, J Vandermause, ...
arXiv preprint arXiv:2204.12573, 2022
Effect of frustrated rotations on the pre-exponential factor for unimolecular reactions on surfaces: a case study of alkoxy dehydrogenation
W Chen, L Sun, B Kozinsky, CM Friend, E Kaxiras, P Sautet, RJ Madix
The Journal of Physical Chemistry C 124 (2), 1429-1437, 2019
Self-irradiation of thin SiC nanowires with low-energy ions: a molecular dynamics study
L Sun, C Lan, S Zhao, J Xue, Y Wang
Journal of Physics D: Applied Physics 45 (13), 135403, 2012
Solubility Limit of Cu and Factors Governing the Reactivity of Cu–CeO2 Assessed from First-Principles Defect Chemistry and Thermodynamics
L Sun, B Yildiz
The Journal of Physical Chemistry C 123 (1), 399-409, 2018
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