Previously a student of civil and structural engineering in National Taiwan University, Yuan decided to take a quantum leap to computational materials science broadly construed and applied. Before joining Asta group at Berkeley, he used molecular dynamics, multiscale modeling, and machine learning to understand the physics and mechanics of cement, composites, and proteins. Excited about quantum mechanical calculations, he now tries to extend his passion to the nuclear reactor materials under extreme conditions. For more details, please visit his personal website: chiang-yuan.github.io.

Outside of the lab he wants to pick up his popping dance and cultivate new hobbies in cooking and biking.

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Yuan Chiang

UC Berkeley, Lawrence Berkeley National Laboratory

Research Interests

geometric deep learningcomputational materials sciencematerials theoryAI for Science

Publications

Showing 1-15 of 25 publications

Title	Year	Cited by
A foundation model for atomistic materials chemistry I Batatia, P Benner, Y Chiang, AM Elena, DP Kovács, J Riebesell, ... The Journal of chemical physics 163 (18), 2025	2025	1,435
Matbench Discovery--An evaluation framework for machine learning crystal stability prediction J Riebesell, REA Goodall, P Benner, Y Chiang, B Deng, AA Lee, A Jain, ... arXiv preprint arXiv:2308.14920, 2023	2023	421
Atomate2: Modular workflows for materials science AM Ganose, H Sahasrabuddhe, M Asta, K Beck, T Biswas, A Bonkowski, ... Digital discovery 4 (7), 1944-1973, 2025	2025	109
LLaMP: Large language model made powerful for high-fidelity materials knowledge retrieval Y Chiang, E Hsieh, CH Chou, J Riebesell Proceedings of the 2025 Conference on Empirical Methods in Natural Language …, 2025	2025	88
Bridging the gap between NMR measured mean silicate chain length and nano-scale silicate polymorphism of calcium silicate hydrates Y Chiang, SW Chang Cement and Concrete Research 140, 106268, 2021	2021	70
32 examples of LLM applications in materials science and chemistry: towards automation, assistants, agents, and accelerated scientific discovery Y Zimmermann, A Bazgir, A Al-Feghali, M Ansari, J Bocarsly, LC Brinson, ... Machine Learning: Science and Technology 6 (3), 030701, 2025	2025	51
MLIP arena: advancing fairness and transparency in machine learning interatomic potentials via an open, accessible benchmark platform Y Chiang, T Kreiman, C Zhang, M Kuner, E Weaver, I Amin, H Park, Y Lim, ... Advances in Neural Information Processing Systems 38, 2026	2026	40
Reflections from the 2024 large language model (LLM) hackathon for applications in materials science and chemistry Y Zimmermann, A Bazgir, Z Afzal, F Agbere, Q Ai, N Alampara, ... arXiv preprint arXiv:2411.15221, 2024	2024	23
Encoding protein dynamic information in graph representation for functional residue identification Y Chiang, WH Hui, SW Chang Cell Reports Physical Science 3 (7), 2022	2022	21
Geometrically toughening mechanism of cellular composites inspired by Fibonacci lattice in Liquidambar formosana Y Chiang, CC Tung, XD Lin, PY Chen, CS Chen, SW Chang Composite Structures 262, 113349, 2021	2021	21
High-dimensional phase space reconstruction with a convolutional neural network for structural health monitoring YL Chen, Y Chiang, PH Chiu, IC Huang, YB Xiao, SW Chang, CW Huang Sensors 21 (10), 3514, 2021	2021	20
Alpha A Lee, Anubhav Jain, and Kristin A Persson. Matbench discovery–a framework to evaluate machine learning crystal stability predictions J Riebesell, REA Goodall, P Benner, Y Chiang, B Deng, G Ceder, M Asta arXiv preprint arXiv:2308.14920, 2023	2023	13
ImageMech: From image to particle spring network for mechanical characterization Y Chiang, TW Chiu, SW Chang Frontiers in Materials 8, 2022	2022	12
Matbench Discovery–A framework to evaluate machine learning crystal stability predictions, arXiv, 2024 J Riebesell, REA Goodall, P Benner, Y Chiang, B Deng, AA Lee, A Jain, ... arXiv preprint arXiv:2308.14920 10, 0		12
Mechanical and crack propagating behavior of sierpinski carpet composites YY Tsai, Y Chiang, JL Buford, ML Tsai, HC Chen, SW Chang ACS Biomaterials Science & Engineering 9 (7), 3912-3922, 2023	2023	11

Citations

	All	Since 2019
Citations	2,373	2,371
h-index	12	12
i10-index	15	15

Co-authors

12 co-authors

Janosh Riebesell

Shu-Wei Chang

Kristin Aslaug Persson (nee Einarsdott...

Anubhav Jain

M. Asta

Gerbrand Ceder

Cheng-che Tung

Po-Yu Chen

Ting-Wai Chiu (趙挺偉)

Ilyes Batatia

Gabor Csanyi FRS

Andrew S Rosen