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27
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Screening and Development of Sacrificial Cathode Additives for Lithium‐Ion Batteries.
Haegyeom Kim, Kyujung Jun, Nathan Szymanski, Venkata Sai Avvaru, Zijian Cai, Matthew Crafton, Gi‐Hyeok Lee, Stephen E Trask, Finn Babbe, Young-woon Byeon, Peichen Zhong, Donghun Lee, Byungchun Park, Wangmo Jung, Bryan D. McCloskey, and Wanli Yang.
Advanced Energy Materials
2403946,
1--11
(2025)
|
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26
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Oxygen Dimerization-Driven Cation Migration Induces Voltage Hysteresis in Disordered Rocksalt Cathodes.
Byunghoon Kim, Peichen Zhong, Yunyeong Choi, Shashwat Anand, Han-Ming Hau, Bowen Deng, and Gerbrand Ceder.
Journal of the American Chemical Society
147,
223--233
(2025)
|
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25
|
Systematic softening in universal machine learning interatomic potentials.
Bowen Deng, Yunyeong Choi, Peichen Zhong, Janosh Riebesell, Shashwat Anand, Zhuohan Li, KyuJung Jun, Kristin A. Persson, and Gerbrand Ceder.
npj Computational Materials
11,
9
(2025)
|
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24
|
Machine learning interatomic potential can infer electrical response.
Peichen Zhong, Dongjin Kim, Daniel King, and Bingqing Cheng.
arXiv:2504.05169,
(2025)
|
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23
|
Cross-functional transferability in universal machine learning interatomic potentials .
Xu Huang, Bowen Deng, Peichen Zhong, Aaron Kaplan, Kristin Persson, and Gerbrand Ceder.
arXiv:2504.05565,
(2025)
|
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22
|
Foundation Models for Atomistic Simulation of Chemistry and Materials.
Eric C.-Y. Yuan, Yunsheng Liu, Junmin Chen, Peichen Zhong, Sanjeev Raja, Tobias Kreiman, Santiago Vargas, Wenbin Xu, Martin Head-Gordon, Chao Yang, Samuel M. Blau, Bingqing Cheng, Aditi Krishnapriyan, and Teresa Head-Gordon.
arXiv:2503.10538,
(2025)
|
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21
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Large language models are innate crystal structure generators.
Jingru Gan, Peichen Zhong, Yuanqi Du, Yanqiao Zhu, Chenru Duan, Haorui Wang, Carla P. Gomes, Kristin Persson, Daniel Schwalbe-Koda, and Wei Wang.
arxiv:2502.20933,
(2025)
|
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20
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Structural Origins of High Electrochemical Performance of $\delta$-phase Mn-Rich Cathodes.
Shashwat Anand, Tara Mishra, Peichen Zhong, Bowen Deng, KyuJung Jun, Tucker Holstun, and Gerbrand Ceder.
arXiv:2502.19140,
(2025)
|
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19
|
Harnessing Machine Learning to Enhance Transition State Search with Interatomic Potentials and Generative Models .
Qiyuan Zhao, Yunhong Han, Duo Zhang, Jiaxu Wang, Taoyong Cui, Peichen Zhong, Bangchen Yin, Yirui Cao, Haojun Jia, and Chenru Duan.
chemrxiv-2025-mt6hc,
(2025)
|
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18
|
Effect of Cation Disorder on Lithium Transport in Halide Superionic Conductors.
Peichen Zhong, Sunny Gupta, Bowen Deng, KyuJung Jun, and Gerbrand Ceder.
ACS Energy Letters
9,
2775--2781
(2024)
|
|
17
|
The Limited Incorporation and Role of Fluorine in Mn-rich Disordered Rocksalt Cathodes.
Vincent C Wu, Peichen Zhong, Julia Ong, Eric Yoshida, Andrew Kwon, Gerbrand Ceder, and Raphaele J. Clement.
ACS Energy Letters
9,
3027--3035
(2024)
|
|
16
|
Deep learning of experimental electrochemistry for battery cathodes across diverse compositions.
Peichen Zhong, Bowen Deng, Tanjin He, Zhengyan Lun, and Gerbrand Ceder.
Joule
8,
1837-1854
(2024)
|
|
15
|
Learning charges and long-range interactions from energies and forces.
Dongjin Kim, Daniel King, Peichen Zhong, and Bingqing Cheng.
arXiv:2412.15455,
(2024)
|
|
14
|
Inpainting crystal structure generations with score-based denosing.
Xinzhe Dai, Peichen Zhong, Bowen Deng, Yifan Chen, and Gerbrand Ceder.
ICML 2024 AI for Science Workshop,
(2024)
|
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13
|
CHGNet as a pretrained universal neural network potential for charge-informed atomistic modeling .
Bowen Deng, Peichen Zhong, KyuJung Jun, Janosh Riebesell, Kevin Han, Christopher J. Bartel, and Gerbrand Ceder.
Nature Machine Intelligence
5,
1031--1041
(2023)
|
|
12
|
Morphology Engineering in Multicomponent Hollow Metal Chalcogenide Nanoparticles.
Bo Shen, Liliang Huang, Jiahong Shen, Xiaobing Hu, Peichen Zhong, Cindy Y. Zheng, Chris Wolverton, and Chad A. Mirkin.
ACS Nano
17,
4642--4649
(2023)
|
|
11
|
Semigrand-canonical Monte-Carlo simulation methods for charge-decorated cluster expansions.
Fengyu Xie, Peichen Zhong, Luis Barroso-Luque, Bin Ouyang, and Gerbrand Ceder.
Computational Materials Science
218,
112000
(2023)
|
|
10
|
Optimizing Li‐Excess Cation‐Disordered Rocksalt Cathode Design Through Partial Li Deficiency.
Liliang Huang, Peichen Zhong, Yang Ha, Zijian Cai, Young‐Woon Byeon, Tzu‐Yang Huang, Yingzhi Sun, Fengyu Xie, Han‐Ming Hau, Haegyeom Kim, Mahalingam Balasubramanian, Bryan D. McCloskey, Wanli Yang, and Gerbrand Ceder.
Advanced Energy Materials
13,
2202345
(2023)
|
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9
|
Oxygen Vacancy Introduction to Increase the Capacity and Voltage Retention in Li‐Excess Cathode Materials.
Jianping Huang, Peichen Zhong, Yang Ha, Zhengyan Lun, Yaosen Tian, Mahalingam Balasubramanian, Wanli Yang, and Gerbrand Ceder.
Small Structures
4,
2200343
(2023)
|
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8
|
Modeling intercalation chemistry with multi-redox reactions by sparse lattice models in disordered rocksalt cathodes.
Peichen Zhong, Fengyu Xie, Luis Barroso-Luque, Liliang Huang, and Gerbrand Ceder.
PRX Energy
2,
043005
(2023)
|
|
7
|
Cluster expansions of multi-component oxides: Formalism and methods .
Luis Barroso-Luque, Peichen Zhong, Julia H Yang, Tina Chen, Fengyu Xie, Bin Ouyang, and Gerbrand Ceder.
Phys. Rev. B
106,
144202
(2022)
|
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6
|
smol: A Python package for cluster expansions and beyond.
Luis Barroso-Luque, Julia H Yang, Fengyu Xie, Tina Chen, Ronald L Kam, Zinab Jadidi, Peichen Zhong, and Gerbrand Ceder.
Journal of Open Source Software
7,
4504
(2022)
|
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5
|
An \(\ell_0\ell_2\)-norm regularized regression model for construction of robust cluster expansion in multicomponent systems .
Peichen Zhong, Tina Chen, Luis Barroso-Luque, Fengyu Xie, and Gerbrand Ceder.
Phys. Rev. B
106,
024203
(2022)
|
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4
|
Solid-State Calcium-Ion Diffusion in Ca1.5Ba0.5Si5O3N6.
Yu Chen, Christopher J. Bartel, Maxim Avdeev, Ya-Qian Zhang, Jue Liu, Peichen Zhong, Guobo Zeng, Zijian Cai, Haegyeom Kim, Huiwen Ji, and Gerbrand Ceder.
Chemistry of Materials
34,
128--139
(2022)
|
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3
|
Non-topotactic reactions enable high rate capability in Li-rich cathode materials.
Jianping Huang, Peichen Zhong, Yang Ha, Deok-Hwang Kwon, Matthew J Crafton, Yaosen Tian, Mahalingam Balasubramanian, Bryan D. McCloskey, Wanli Yang, and Gerbrand Ceder.
Nature Energy
6,
706--714
(2021)
|
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2
|
Increasing Capacity in Disordered Rocksalt Cathodes by Mg Doping.
Peichen Zhong, Zijian Cai, Yaqian Zhang, Raynald Giovine, Bin Ouyang, Guobo Zeng, Yu Chen, Raphaele Clement, Zhengyan Lun, and Gerbrand Ceder.
Chemistry of Materials
32,
10728--10736
(2020)
|
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1
|
In-plane magnetization-induced quantum anomalous Hall effect in atomic crystals of group-V elements.
Peichen Zhong, Yafei Ren, Yulei Han, Liyuan Zhang, and Zhenhua Qiao.
Phys. Rev. B
96,
241103
(2017)
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