| Computationally driven discovery of a family of layered LiNiB polymorphs V Gvozdetskyi, G Bhaskar, M Batuk, X Zhao, R Wang, SL Carnahan, ... Angewandte Chemie International Edition 58 (44), 15855-15862, 2019 | 34 | 2019 |
| Topochemical deintercalation of Li from layered LiNiB: toward 2D MBene G Bhaskar, V Gvozdetskyi, M Batuk, KM Wiaderek, Y Sun, R Wang, ... Journal of the American Chemical Society 143 (11), 4213-4223, 2021 | 33 | 2021 |
| Discovering rare-earth-free magnetic materials through the development of a database M Sakurai, R Wang, T Liao, C Zhang, H Sun, Y Sun, H Wang, X Zhao, ... Physical review materials 4 (11), 114408, 2020 | 26 | 2020 |
| Theoretical search for possible Li–Ni–B crystal structures using an adaptive genetic algorithm R Wang, Y Sun, V Gvozdetskyi, X Zhao, F Zhang, LH Xu, JV Zaikina, Z Lin, ... Journal of Applied Physics 127 (9), 2020 | 11 | 2020 |
| Accelerating the discovery of novel magnetic materials using machine learning–guided adaptive feedback W Xia, M Sakurai, B Balasubramanian, T Liao, R Wang, C Zhang, H Sun, ... Proceedings of the National Academy of Sciences 119 (47), e2204485119, 2022 | 10 | 2022 |
| High-throughput screening of strong electron–phonon couplings in ternary metal diborides R Wang, Y Sun, F Zhang, F Zheng, Y Fang, S Wu, H Dong, CZ Wang, ... Inorganic Chemistry 61 (45), 18154-18161, 2022 | 10 | 2022 |
| Ternary Zinc Antimonides Unlocked Using Hydride Synthesis V Gvozdetskyi, SJ Lee, B Owens-Baird, JA Dolyniuk, T Cox, R Wang, ... Inorganic Chemistry 60 (14), 10686-10697, 2021 | 10 | 2021 |
| Superconductivity in the Li-BC system at 100 GPa F Zheng, Y Sun, R Wang, Y Fang, F Zhang, S Wu, CZ Wang, V Antropov, ... Physical Review B 107 (1), 014508, 2023 | 9 | 2023 |
| Stabilizing the crystal structures of NaFePO 4 with Li substitutions R Wang, S Wu, F Zhang, X Zhao, Z Lin, CZ Wang, KM Ho Physical Chemistry Chemical Physics 22 (25), 13975-13980, 2020 | 9 | 2020 |
| Magnetic iron-cobalt silicides discovered using machine-learning T Liao, W Xia, M Sakurai, R Wang, C Zhang, H Sun, KM Ho, CZ Wang, ... Physical Review Materials 7 (3), 034410, 2023 | 6 | 2023 |
| Theoretical prediction of a highly responsive material: Spin fluctuations and superconductivity in FeNiB2 system R Wang, Y Sun, V Antropov, Z Lin, CZ Wang, KM Ho Applied Physics Letters 115 (18), 2019 | 6 | 2019 |
| Machine learning-guided discovery of ternary compounds containing La, P, and group 14 elements H Sun, C Zhang, W Xia, L Tang, R Wang, G Akopov, NW Hewage, KM Ho, ... Inorganic Chemistry 61 (42), 16699-16706, 2022 | 5 | 2022 |
| Predicting magnetic anisotropy energies using site-specific spin-orbit coupling energies and machine learning: Application to iron-cobalt nitrides T Liao, W Xia, M Sakurai, R Wang, C Zhang, H Sun, KM Ho, CZ Wang, ... Physical Review Materials 6 (2), 024402, 2022 | 5 | 2022 |
| Machine learning guided discovery of ternary compounds involving La and immiscible Co and Pb elements R Wang, W Xia, TJ Slade, X Fan, H Dong, KM Ho, PC Canfield, CZ Wang npj Computational Materials 8 (1), 258, 2022 | 4 | 2022 |
| How to Look for Compounds: Predictive Screening and in situ Studies in Na− Zn− Bi System V Gvozdetskyi, R Wang, W Xia, F Zhang, Z Lin, KM Ho, G Miller, ... Chemistry–A European Journal 27 (64), 15954-15966, 2021 | 4 | 2021 |
| Unconventional iron-magnesium compounds at terapascal pressures Y Fang, Y Sun, R Wang, F Zheng, S Wu, CZ Wang, RM Wentzcovitch, ... Physical Review B 104 (14), 144109, 2021 | 4 | 2021 |
| Molecular dynamics simulation of Fe-Si alloys using a neural network machine learning potential H Sun, C Zhang, L Tang, R Wang, W Xia, CZ Wang Physical Review B 107 (22), 224301, 2023 | 3 | 2023 |
| Prediction of superconductivity in metallic boron–carbon compounds from 0 to 100 GPa by high-throughput screening F Zheng, Y Sun, R Wang, Y Fang, F Zhang, S Wu, Q Lin, CZ Wang, ... Physical Chemistry Chemical Physics 25 (47), 32594-32601, 2023 | 3 | 2023 |
| Path Less Traveled: A Contemporary Twist on Synthesis and Traditional Structure Solution of Metastable LiNi12B8 G Bhaskar, V Gvozdetskyi, SL Carnahan, R Wang, A Mantravadi, X Wu, ... ACS Materials Au 2 (5), 614-625, 2022 | 3 | 2022 |
| Prediction of crystal structures and motifs in the Fe–Mg–O system at Earth’s core pressures R Wang, Y Sun, RM Wentzcovitch, F Zheng, Y Fang, S Wu, Z Lin, ... New Journal of Physics 23 (6), 063050, 2021 | 3 | 2021 |
Yang SunColumbia UniversityVerified email at columbia.edu
