Articles avec mandats d'accès public - Lixin Sun 孙励新En savoir plus
Non disponible : 1
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
Exigences : US Department of Energy
Disponibles quelque part : 24
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
Exigences : US National Science Foundation, US Department of Energy, US Department of …
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
Exigences : US National Science Foundation, US Department of Energy
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
Exigences : US National Science Foundation, US Department of Energy, US National …
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
Exigences : US National Science Foundation, US Department of Energy
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
Exigences : US Department of Energy
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
Exigences : US Department of Energy
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
Exigences : US National Science Foundation, US Department of Energy
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
Exigences : US National Science Foundation, US Department of Energy
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
Exigences : US Department of Energy
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
Exigences : US National Science Foundation, US Department of Energy
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
Exigences : US Department of Energy
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
Exigences : US National Science Foundation, US Department of Energy, US National …
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
Exigences : US National Science Foundation, US Department of Energy
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
Exigences : US National Science Foundation, US Department of Energy
Accessible switching of electronic defect type in via biaxial strain
YT Chi, M Youssef, L Sun, KJ Van Vliet, B Yildiz
Physical Review Materials 2 (5), 055801, 2018
Exigences : US National Science Foundation
Strain rate effect on dislocation climb mechanism via self-interstitials
XZ Tang, YF Guo, L Sun, Y Fan, S Yip, B Yildiz
Materials Science and Engineering: A 713, 141-145, 2018
Exigences : US Department of Energy, National Natural Science Foundation of China
On-the-fly Bayesian active learning of interpretable force-fields for atomistic rare events
J Vandermause, SB Torrisi, S Batzner, AM Kolpak, B Kozinsky
Preprint at https://arxiv. org/abs/1904.02042, 2019
Exigences : US Department of Energy
Fast bayesian force fields from active learning: study of inter-dimensional transformation of stanene
Y Xie, J Vandermause, L Sun, A Cepellotti, B Kozinsky
Materials Cloud Archive, 2020
Exigences : US National Science Foundation, US Department of Energy
Stabilizing single atoms and a lower oxidation state of Cu by a ½[110]{100} edge dislocation in
L Sun, B Yildiz
Physical Review Materials 3 (2), 025801, 2019
Exigences : US Department of Energy
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