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
317 2023 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
43 2019 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
42 2019 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
34 2023 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
27 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
20 2020 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
14 2024 Deep learning of experimental electrochemistry for battery cathodes across diverse compositions P Zhong, B Deng, T He, Z Lun, G Ceder
Joule, 2024
7 2024 Matbench Discovery–A framework to evaluate machine learning crystal stability predictions, 2024 J Riebesell, REA Goodall, P Benner, Y Chiang, B Deng, AA Lee, A Jain, ...
arXiv preprint arXiv:2308.14920, 0
6 Overcoming systematic softening in universal machine learning interatomic potentials by fine-tuning, 2024 B Deng, Y Choi, P Zhong, J Riebesell, S Anand, Z Li, K Jun, KA Persson, ...
URL https://arxiv. org/abs/2405.07105.(cited on page 2), 0
5 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
4 2024 Oxygen Dimerization-Driven Cation Migration Induces Voltage Hysteresis in Disordered Rocksalt Cathodes B Kim, P Zhong, Y Choi, S Anand, HM Hau, B Deng, G Ceder
Journal of the American Chemical Society 147 (1), 223-233, 2024
1 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 Systematic softening in universal machine learning interatomic potentials B Deng, Y Choi, P Zhong, J Riebesell, S Anand, Z Li, KJ Jun, KA Persson, ...
npj Computational Materials 11 (1), 1-9, 2025
2025 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
Electrochemical Society Meeting Abstracts prime2024, 333-333, 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 Inpainting crystal structure generations with score-based denoising X Dai, P Zhong, B Deng, Y Chen, G Ceder
ICML 2024 AI for Science Workshop, 0
Modeling phase transformations in Mn-rich cathodes with charge-informed machine-learning interatomic potentials P Zhong, B Deng, S Anand, T Mishra, G Ceder
Gerbrand CederProfessor of Materials Science and EngineeringEmail verificata su berkeley.edu