| Performance and cost assessment of machine learning interatomic potentials Y Zuo, C Chen, X Li, Z Deng, Y Chen, J Behler, G Csányi, AV Shapeev, ... The Journal of Physical Chemistry A 124 (4), 731-745, 2020 | 757 | 2020 |
| A critical review of machine learning of energy materials C Chen, Y Zuo, W Ye, X Li, Z Deng, SP Ong Advanced Energy Materials 10 (8), 1903242, 2020 | 509 | 2020 |
| Atomistic simulations of dislocation mobility in refractory high-entropy alloys and the effect of chemical short-range order S Yin, Y Zuo, A Abu-Odeh, H Zheng, XG Li, J Ding, SP Ong, M Asta, ... Nature communications 12 (1), 4873, 2021 | 260 | 2021 |
| Complex strengthening mechanisms in the NbMoTaW multi-principal element alloy XG Li, C Chen, H Zheng, Y Zuo, SP Ong npj Computational Materials 6 (1), 70, 2020 | 222 | 2020 |
| Grain boundary properties of elemental metals H Zheng, XG Li, R Tran, C Chen, M Horton, D Winston, KA Persson, ... Acta Materialia 186, 40-49, 2020 | 210 | 2020 |
| Learning properties of ordered and disordered materials from multi-fidelity data C Chen, Y Zuo, W Ye, X Li, SP Ong Nature Computational Science 1 (1), 46-53, 2021 | 181 | 2021 |
| Anisotropic work function of elemental crystals R Tran, XG Li, JH Montoya, D Winston, KA Persson, SP Ong Surface Science 687, 48-55, 2019 | 131 | 2019 |
| Quantum-Accurate Spectral Neighbor Analysis Potential Models for Ni-Mo Binary Alloys and FCC Metals XG Li, C Hu, C Chen, Z Deng, J Luo, SP Ong Physical Review B 98, 094104, 2018 | 126 | 2018 |
| Accelerating materials discovery with Bayesian optimization and graph deep learning Y Zuo, M Qin, C Chen, W Ye, X Li, J Luo, SP Ong Materials Today 51, 126-135, 2021 | 110 | 2021 |
| An electrostatic spectral neighbor analysis potential for lithium nitride Z Deng, C Chen, XG Li, SP Ong npj Computational Materials 5 (1), 75, 2019 | 101 | 2019 |
| Bridging the gap between simulated and experimental ionic conductivities in lithium superionic conductors J Qi, S Banerjee, Y Zuo, C Chen, Z Zhu, MLH Chandrappa, X Li, SP Ong Materials Today Physics 21, 100463, 2021 | 88 | 2021 |
| Water Contributes to Higher Energy Density and Cycling Stability of Prussian Blue Analogue Cathodes for Aqueous Sodium-Ion Batteries SPO Xingyu Guo, Zhenbin Wang, Zhi Deng, Xiangguo Li, Bo Wang, Xi Chen Chemistry of Materials, 2019 | 82 | 2019 |
| Elucidating the Limit of Li Insertion into the Spinel Li4Ti5O12 PL Haodong Liu, Zhuoying Zhu, Jason Huang, Xin He, Yan Chen, Rui Zhang ... ACS Materials Letters 1, 96-102, 2019 | 66 | 2019 |
| Generalized stacking fault energies and Peierls stresses in refractory body-centered cubic metals from machine learning-based interatomic potentials X Wang, S Xu, WR Jian, XG Li, Y Su, IJ Beyerlein Computational Materials Science 192, 110364, 2021 | 61 | 2021 |
| Multi-scale investigation of short-range order and dislocation glide in MoNbTi and TaNbTi multi-principal element alloys H Zheng, LTW Fey, XG Li, YJ Hu, L Qi, C Chen, S Xu, IJ Beyerlein, ... npj Computational Materials 9 (1), 89, 2023 | 41 | 2023 |
| Molecular analogue of the perovskite repeating unit and evidence for direct MnIII-CeIV-MnIII exchange coupling pathway AE Thuijs, XG Li, YP Wang, KA Abboud, XG Zhang, HP Cheng, ... Nature communications 8 (1), 500, 2017 | 37 | 2017 |
| A review on plasmonic nanostructures for efficiency enhancement of organic solar cells S Liu, Y Sun, L Chen, Q Zhang, X Li, J Shuai Materials Today Physics 24, 100680, 2022 | 35 | 2022 |
| Two-dimensional lateral GaN/SiC heterostructures: First-principles studies of electronic and magnetic properties GX Chen, XG Li, YP Wang, JN Fry, HP Cheng Physical review B 95 (4), 045302, 2017 | 35 | 2017 |
| First-principles studies of electric field effects on the electronic structure of trilayer graphene YP Wang, XG Li, JN Fry, HP Cheng Physical Review B 94 (16), 165428, 2016 | 34 | 2016 |
| Rational synthesis and electrochemical performance of LiVOPO 4 polymorphs MFV Hidalgo, YC Lin, A Grenier, D Xiao, J Rana, R Tran, H Xin, M Zuba, ... Journal of Materials Chemistry A 7 (14), 8423-8432, 2019 | 31 | 2019 |
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