| ALKEMIE: An intelligent computational platform for accelerating materials discovery and design G Wang, L Peng, K Li, L Zhu, J Zhou, N Miao, Z Sun Computational Materials Science 186, 110064, 2021 | 101 | 2021 |
| Abnormally Strong Electron–Phonon Scattering Induced Unprecedented Reduction in Lattice Thermal Conductivity of Two-Dimensional Nb2C Y Huang, J Zhou, G Wang, Z Sun Journal of the American Chemical Society 141 (21), 8503-8508, 2019 | 55 | 2019 |
| Prediction of thermoelectric performance for layered IV-V-VI semiconductors by high-throughput ab initio calculations and machine learning Y Gan, G Wang, J Zhou, Z Sun NPJ Computational Materials 7 (1), 176, 2021 | 40 | 2021 |
| Vacancy formation energy and its connection with bonding environment in solid: A high-throughput calculation and machine learning study YX Cheng, L Zhu, G Wang, J Zhou, SR Elliott, Z Sun Computational Materials Science 183, 109803, 2020 | 24 | 2020 |
| Role of carbon-rings in polycrystalline GeSb2Te4 phase-change material G Wang, J Zhou, SR Elliott, Z Sun Journal of Alloys and Compounds 782, 852-858, 2019 | 21 | 2019 |
| High-Throughput Automatic Integrated Material Calculations and Data Management Intelligent Platform and the Application in Novel Alloys G Wang, K Li, L Peng, Y Zhang, J Zhou, Z Sun Acta Metall Sin 58 (1), 75-88, 2021 | 19 | 2021 |
| Reduction in thermal conductivity of Sb2Te phase-change material by scandium/yttrium doping L Peng, Z Li, G Wang, J Zhou, R Mazzarello, Z Sun Journal of Alloys and Compounds 821, 153499, 2020 | 16 | 2020 |
| Novel metal oxides with promising high-temperature thermoelectric performance L Peng, N Miao, G Wang, J Zhou, SR Elliott, Z Sun Journal of Materials Chemistry C 9 (37), 12884-12894, 2021 | 13 | 2021 |
| First principles investigation on anomalous lattice shrinkage of W alloyed rock salt GeTe G Wang, J Zhou, Z Sun Journal of Physics and Chemistry of Solids 137, 109220, 2020 | 7 | 2020 |
| Accelerating the discovery of transition metal borides by machine learning on small data sets Y Sun, G Wang, K Li, L Peng, J Zhou, Z Sun ACS Applied Materials & Interfaces 15 (24), 29278-29286, 2023 | 6 | 2023 |
| PotentialMind: Graph Convolutional Machine Learning Potential for Sb–Te Binary Compounds of Multiple Stoichiometries G Wang, Y Sun, J Zhou, Z Sun The Journal of Physical Chemistry C 127 (51), 24724-24733, 2023 | 1 | 2023 |
| Atomic insights into device-scale phase-change memory materials using machine learning potential G Wang, Z Sun Science Bulletin 68 (24), 3105-3107, 2023 | 1 | 2023 |
| Origin of the concentration-dependent effects of N on the stability and electrical resistivity in polycrystalline Ge 1 Sb 2 Te 4 B Wang, G Wang, L Zhu, J Zhou, Z Sun Journal of Materials Chemistry C 10 (10), 3971-3979, 2022 | 1 | 2022 |
| Role of Anharmonic Interactions for Vibration Density of States in α-Cristobalite Y Huang, J Zhou, G Wang, Z Sun Materials 14 (3), 617, 2021 | 1 | 2021 |
| A new method for an old topic: Efficient and reliable estimation of material bulk modulus P Wang, Y Qin, M Cheng, G Wang, D Xiu, Z Sun Computational Materials Science 165, 7-12, 2019 | 1 | 2019 |
| Machine learning interatomic potential: Bridge the gap between small-scale models and realistic device-scale simulations G Wang, C Wang, X Zhang, Z Li, J Zhou, Z Sun Iscience 27 (5), 2024 | | 2024 |
Zhimei SunDirector of Center for Integrated Computational Materials Engineering, Beihang University, ChinaVerified email at buaa.edu.cn
