BOWEN DENG

Bowen Deng
PhD student @ UC Berkeley

Bowen Deng
PhD student @ UC Berkeley

I work at the intersection of materials science and artificial intelligence. I'm interested in solving the challenges in energy storage, new materials discovery, through a combination of deep learning, first-principles simulation, thermodynamics and statistical mechanics.

I work at the intersection of materials science and artificial intelligence. I'm interested in solving the challenges in energy storage, new materials discovery, through a combination of deep learning, first-principles simulation, thermodynamics and statistical mechanics.

I work at the intersection of materials science and artificial intelligence. I'm interested in solving the challenges in energy storage, new materials discovery, through a combination of deep learning, first-principles simulation, thermodynamics and statistical mechanics.

Google Scholar

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Research Experience

Research Experience

Research Experience

CEDER Group at Lawrence Berkeley National Lab

02/2021-Current
Berkeley, CA

Foundational artificial intelligence model for material science, machine learning interatomic potentials.

Material discovery through deep learning, first-principles simulation, thermodynamics, and statistical mechanics.

Energy storage material, including Li-ion battery cathodes and solid-state Li-ion conductors

Google DeepMind, Science Team

05/2024-11/2024
Mountain View, CA

Developing and applying AI and computational methods to study materials’ behavior

Microsoft Research Asia

09/2020 – 12/2020
Beijing, China

Computational materials science with deep learning approach including convolutional neural networks, and graph neural networks.

Transport for Energy Application Lab at UCSB

01/2019 – 02/2020
Santa Barbara, CA

First-principles study of topological Dirac semimetals for their thermal-electric applications.

Publications

Publications

Publications

A Foundational Potential Energy Surface Dataset for Materials.

A. D. Kaplan, R. Liu, J. Qi, T. W. Ko, B. Deng, J. Riebesell, G. Ceder, K. A. Persson, S. P. Ong*

arXiv (2025).


Materials Graph Library (MatGL), an open-source graph deep learning library for materials science and chemistry

T. W. Ko, B. Deng, M. Nassar, L. Barroso-Luque, R. Liu, J. Qi, E. Liu, G. Ceder, S. Miret, S. P. Ong*

arXiv (2025).

A practical guide to machine learning interatomic potentials – Status and future

R. Jacobs*, D. Morgan*, S. Attarian, J. Meng, C. Shen, Z. Wu, C. Y. Xie, J. H. Yang, N. Artrith, B. Blaiszik, G. Ceder, K. Choudhary, G. Csanyi, E. D. Cubuk, B. Deng, R. Drautz, X. Fu, J. Godwin, V. Honavar, O. Isayev, A. Johansson, S. Martiniani, S. P. Ong, I. Poltavsky, K. Schmidt, S. Takamoto, A. P. Thompson, J. Westermayr, B. M. Wood, B. Kozinsky,

Curr. Opin. Solid State Mater. Sci. 35, 101214 (2025).


Oxygen Dimerization-Driven Cation Migration Induces Voltage Hysteresis in Disordered Rocksalt Cathodes.

B. Kim, P. Zhong, Y. Choi, S. Anand, H.-M. Hau, B. Deng, G. Ceder*

J. Am. Chem. Soc. 147, 223–233 (2025)


Systematic softening in universal machine learning interatomic potentials

B. Deng, Y. Choi, P. Zhong, J. Riebesell, S. Anand, Z. Li, K. Jun, K. A. Persson, G. Ceder*

npj Comput. Mater. 11, 9 (2025)


Effect of Cation Disorder on Lithium Transport in Halide Superionic Conductors

P. Zhong, S. Gupta, B. Deng, K. Jun, G. Ceder*

ACS Energy Lett. 9, 2775–2781 (2024)

Inpainting crystal structure generations with score-based denoising

X. Dai‡, P. Zhong‡, B. Deng, Y. Chen, G. Ceder*

ICML 2024 AI for Science Workshop (2024)

Deep learning of experimental electrochemistry for battery cathodes across diverse compositions.

P. Zhong, B. Deng, T. He, Z. Lun, G. Ceder*

Joule 8, 1837–1854 (2024).


Matbench Discovery--An evaluation framework for machine learning crystal stability prediction

J. Riebesell*, R. E. A. Goodall, P. Benner, Y. Chiang, B. Deng, G. Ceder, A. A. Lee, A. Jain, K. A. Persson*

arXiv (2023)


CHGNet as a pretrained universal neural network potential for charge-informed atomistic modelling.

B. Deng, P. Zhong*, K. Jun, J. Riebesell, K. Han, C. J. Bartel, G. Ceder*

Nat. Mach. Intell. 1–11 (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, O. Kononova*, G. Ceder*

Digit. Discov. 1, 313–324 (2022).


Phonon softening near topological phase transitions

S. Yue, ‡ B. Deng‡, Y. Liu‡, Y. Quan, R. Yang, B. Liao*

Phys. Rev. B 102, 235428 (2020)


Layer dependence of stacking order in nonencapsulated few-layer CrI3

K. Guo, B. Deng, Z. Liu, C. Gao, Z. Shi, L. Bi, L. Zhang, H. Lu, P. Zhou, L. Zhang, Y. Cheng, B. Peng*

Sci. China Mater. 63, 413–420 (2020).


Soft phonons and ultralow lattice thermal conductivity in the Dirac semimetal evolution

S. Yue, H. T. Chorsi, M. Goyal, T. Schumann, R. Yang, T. Xu,
B. Deng, S. Stemmer, J. A. Schuller, B. Liao*

Phys. Rev. Research 1, 033101 (2019)

Talks

[Invited] American Physical Society (APS) March Meeting

3/2025
Anaheim, CA

[Invited] Materials Research Society (MRS) Bulletin Materials News Podcast

3/2025
Online

Materials Research Society (MRS) Winter Meeting

12/2024
Boston, MA

Electrochemical Society (ECS) PRiME

10/2024
Honolulu, HI

Gordon Research Conference (GRC) Computational Materials Science

7/2024
Newry, ME

[Invited] Microsoft Research Science Forum

6/2024
Online

[Invited] University of Michigan SciML Webinar

11/2023
Online

[Invited] UW-Madison Machine Learning Potentials - StAtus and FuturE (MLP-SAFE)

7/2023
Online

Materials Research Society (MRS) Spring Meeting

4/2023
San Francisco, CA

American Physical Society (APS) March Meeting

3/2023
Las Vegas, NV

Awards

Materials Research Society (MRS) Graduate Student Silver Award

12/2024

Boston, MA

A brief history of Machine Learning Interatomic Potentials (MLIPs)

Let's get to know each other.

Let's get to know each other.

Let's get to know each other.

Google Scholar

ORCiD

Github

Linkedin

© Bowendeng 2024. This website is designed by Bowen's wife :P

© Bowendeng 2024. This website is designed by Bowen's wife :P