Narrative CV

Dr. Chun-Wei Pao is a Research Fellow at the Research Center for Applied Sciences, Academia Sinica, and adjunct professor at National Taiwan University, National Yang Ming Chiao Tung University, and National Dong Hwa University. He earned his Ph.D. in Mechanical and Aerospace Engineering from Princeton University, following M.S. degrees from Princeton and National Taiwan University, and a B.S. from National Tsing Hua University. He conducted postdoctoral research at the Theoretical Division of Los Alamos National Laboratory.

Dr. Pao is recognized for his contributions to computational materials science, particularly in multiscale modeling, molecular dynamics, and machine learning-enabled energy models. His recent research has enabled extensive computational exploration of complex materials, including 2D perovskites and high-entropy alloys. His 2022 Nature publication on ultraelastic chemically complex alloys laid the groundwork for his 2024 Nature Communications study, which introduced a machine learning-enabled potential for large-scale simulation of dislocation behaviors in these alloys.

A recipient of the 2025 NSTC Outstanding Research Award, Dr. Pao has also been honored with the Y.Z. Hsu Science Paper Award, Academia Sinica Investigator Award, Academia Sinica Career Development Award, and the IUPAC Distinguished Award for Novel Materials. He serves the international research community through editorial, symposium, and review roles.

Education

• Ph.D. Department of Mechanical and Aerospace Engineering, Princeton University, Princeton, NJ 08544, USA
• M.A. Department of Mechanical and Aerospace Engineering, Princeton University, Princeton, NJ 08544, USA
• M.S. Institute of Applied Mechanics, National Taiwan University. Taipei, Taiwan
• B.S. Department of Power Mechanical Engineering, National Tsing Hua University, Hsin-Chu, Taiwan

Positions and Career

• Deputy Director, Research Center for Applied Sciences Academia Sinica (2026– )
• Adjunct Professor, Institute of Applied Mechanics, National Taiwan University (2024 - )
• Adjunct Professor, Department of Photonics, National Yang Ming Chiao Tung University (2020 - )
• Joint Professor, Department of Materials Science and Engineering, National Dong Hwa University, (2018 - )
• Research Fellow, Research Center for Applied Sciences, Academia Sinica (2018- )
• Associate Research Fellow, Research Center for Applied Sciences, Academia Sinica (2014 – 2018)
• Assistant Research Fellow, Research Center for Applied Sciences, Academia Sinica (2009 – 2014)
• Postdoctoral Research Associate, Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM, USA (2007 – 2009)

Honors and Awards

• 2025 NSTC Outstanding Research Award
• 2023 Y. Z. Hsu Scientific Paper Award
• 2022 Investigator Award, Academia Sinica
• 2018 IUPAC Distinguish Award for Novel Materials and their Synthesis
• 2015 Career Development Award, Academia Sinica
• 2014 Youth Award
• 2014 Young Theorist Award, National Center for Theoretical Sciences
• 2013 Project for Excellent Junior Research Investigators, National Science Council of Taiwan

Selected Publications

• Po-Yu Yang, Yu-Hsuan Chiang, Chun-Wei Pao*, Chien-Cheng Chang* (2023), "Hybrid Machine Learning-Enabled Potential Energy Model for Atomistic Simulation of Lithium Intercalation into Graphite from Plating to Overlithiation", Journal of Chemical Theory and Computation (in press).
• Quanfeng He , J.G. Wang , Hsin-An Chen , Z.Y. Ding , Z.Q. Zhou , L.H. Xiong , Junhua Luan , J.M. Pelletier , J.C. Qiao , Q. Wang , L.L. Fan , Yang Ren , Qiaoshi Zeng , Chain Liu , C.W. Pao*, David Srolovitz*, Yong Yang* (2022), "A Highly Distorted Ultra-Elastic Chemically Complex Elinvar Alloy", Nature 602, 251.
• Q.F. He*, P.H. Tang, H.A. Chen, S. Lan, J.G. Wang, J.H. Luan, M. Du, Y. Liu, C.T. Liu, C.W. Pao*, Y. Yang* (2021), "Understanding chemical short-range ordering/demixing coupled with lattice distortion in solid solution high entropy alloys", Acta Materialia 216, 117140.
• Hsin-An Chen, Ping-Han Tang, Guan-Jie Chen, Chien-Cheng Chang*, Chun-Wei Pao* (2021), "Microstructure Maps of Complex Perovskite Materials from Extensive Monte Carlo Sampling Using Machine Learning-Enabled Energy Model", Journal of Physical Chemistry Letters 12, 3591.
• Po-Yu Yang, Chun-Wei Pao (2021), "Molecular Simulations of the Microstructure Evolution of Solid Electrolyte Interphase during Cyclic Charging/Discharging", ACS Applied Materials & Interfaces, 13, 5017.
• Chih-Hung Chen, Chun-Wei Pao (2021), "Phase-field study of dendritic morphology in lithium metal batteries", Journal of Power Sources 484, 229203
• Cheng-Lun Wu, Fang-Cheng Li, Chun-Wei Pao*, David J. Srolovitz* (2017), "Folding Sheets with Ion Beams", Nano Letters 17, 249-254.
• Cheng-Kuang Lee, Chun-Wei Pao* (2016), "Multiscale Molecular Simulation of Solution Processing of SMDPPEH:PCBM Small Molecule Organic Solar Cells", ACS Applied Materials & Interfaces 8, 20691-20700
• Cheng-Kuang Lee, Chun-Wei Pao*, Chun-Wei Chen (2013), "Correlation of nanoscale organizations of polymer and nanocrystals in polymer/inorganic nanocrystal bulk heterojunction hybrid solar cells: insights from multiscale molecular simulations", Energy & Environmental Science 6, 307.
• Te-Huan Liu, Grzegorz Gajewski, Chun-Wei Pao*, Chien-Cheng Chang* (2011), "Structure, energy, and structural transformations of graphene grain boundaries from atomistic simulations", CARBON 49, 2306-17.

• H. Wang, Po-Yu Yang, W.J. Zhao, S.H. Ma, J.H. Hou, Q.F. He, C.L. Wu, H.A. Chen, Q. Wang, Q. Cheng, B.S. Guo, J. C. Qiao, W.J. Lu, S.J. Zhao, X.D. Xu, C.T. Liu, Y. Liu*, Chun-Wei Pao*, Yong Yang* (2024), “Lattice distortion enabling enhanced strength and plasticity in high entropy intermetallic alloy”, Nature Communications 15, 6782.
• Quanfeng He , J.G. Wang , Hsin-An Chen , Z.Y. Ding , Z.Q. Zhou , L.H. Xiong , Junhua Luan , J.M. Pelletier , J.C. Qiao , Q. Wang , L.L. Fan , Yang Ren , Qiaoshi Zeng , Chain Liu , C.W. Pao*, David Srolovitz*, Yong Yang* (2022), “ A Highly Distorted Ultra-Elastic Chemically Complex Elinvar Alloy”, Nature 602, 251.
• Hsin-An Chen, Ping-Han Tang, Guan-Jie Chen, Chien-Cheng Chang*, Chun-Wei Pao* (2021), "Microstructure Maps of Complex Perovskite Materials from Extensive Monte Carlo Sampling Using Machine Learning-Enabled Energy Model", Journal of Physical Chemistry Letters 12, 3591.
• Cheng-Lun Wu, Fang-Cheng Li, Chun-Wei Pao*, David J. Srolovitz* (2017), "Folding Sheets with Ion Beams", Nano Letters 17, 249-254.
• Cheng-Kuang Lee, Chun-Wei Pao*, Chun-Wei Chen (2013), "Correlation of nanoscale organizations of polymer and nanocrystals in polymer/inorganic nanocrystal bulk heterojunction hybrid solar cells: insights from multiscale molecular simulations", Energy & Environmental Science 6, 307.