CHGNet as a pretrained universal neural network potential for charge-informed atomistic modelling B Deng, P Zhong, KJ Jun, J Riebesell, K Han, CJ Bartel, G Ceder Nature Machine Intelligence 5 (9), 1031-1041, 2023 | 116 | 2023 |
Layer dependence of stacking order in nonencapsulated few-layer CrI3 K Guo, B Deng, Z Shi, Y Li, X Wang, L Bi, L Zhang, H Lu, P Zhou, L Zhang, ... arXiv preprint arXiv:1907.08886, 2019 | 40 | 2019 |
Soft phonons and ultralow lattice thermal conductivity in the Dirac semimetal S Yue, HT Chorsi, M Goyal, T Schumann, R Yang, T Xu, B Deng, ... Physical Review Research 1 (3), 033101, 2019 | 38 | 2019 |
ULSA: unified language of synthesis actions for the representation of inorganic synthesis protocols Z Wang, K Cruse, Y Fei, A Chia, Y Zeng, H Huo, T He, B Deng, ... Digital Discovery 1 (3), 313-324, 2022 | 19 | 2022 |
Phonon softening near topological phase transitions S Yue, B Deng, Y Liu, Y Quan, R Yang, B Liao Physical Review B 102 (23), 235428, 2020 | 17 | 2020 |
Matbench Discovery--An evaluation framework for machine learning crystal stability prediction J Riebesell, REA Goodall, A Jain, P Benner, C Yuan, B Deng, AA Lee, ... arXiv preprint arXiv:2308.14920, 2023 | 10 | 2023 |
Overcoming systematic softening in universal machine learning interatomic potentials by fine-tuning B Deng, Y Choi, P Zhong, J Riebesell, S Anand, Z Li, KJ Jun, KA Persson, ... arXiv preprint arXiv:2405.07105, 2024 | 2 | 2024 |
ULSA: Unified Language of Synthesis Actions for Representation of Synthesis Protocols Z Wang, K Cruse, Y Fei, A Chia, Y Zeng, H Huo, T He, B Deng, ... arXiv preprint arXiv:2201.09329, 2022 | 1 | 2022 |
Foundational Machine Learning Interatomic Potential to Study Li-Ion Battery Cathode Phase Transformation with Charge Transfer B Deng, P Zhong, KJ Jun, J Riebesell, K Han, CJ Bartel, G Ceder PRiME 2024 (October 6-11, 2024), 2024 | | 2024 |
Deep learning of experimental electrochemistry for battery cathodes across diverse compositions P Zhong, B Deng, T He, Z Lun, G Ceder Joule, 2024 | | 2024 |
Effect of Cation Disorder on Lithium Transport in Halide Superionic Conductors P Zhong, S Gupta, B Deng, KJ Jun, G Ceder ACS Energy Letters 9, 2775-2781, 2024 | | 2024 |
Revealing cation-disorder effects on lithium transport in halide superionic conductors P Zhong, S Gupta, B Deng, KJ Jun, G Ceder Bulletin of the American Physical Society, 2024 | | 2024 |
CHGNet: Pretrained Neural Network Potential for Fast and Accurate Charge-constrained Molecular Dynamics B Deng, P Zhong, G Ceder APS March Meeting Abstracts 2023, Q53. 006, 2023 | | 2023 |
Modeling phase transformations in Mn-rich cathodes with charge-informed machine-learning interatomic potentials P Zhong, B Deng, S Anand, T Mishra, G Ceder | | |