Wenbin Li received his bachelor’s degree from Zhejiang University (2008), master’s degree from the University of Pennsylvania (2011), and Ph.D. degree from Massachusetts Institute of Technology (MIT, 2015), all in Materials Science and Engineering. From 2015 to 2017, he was a postdoctoral associate at the Research Laboratory of Electronics of MIT. He then spent two years at the University of Oxford as a Marie Curie Fellow. In 2019, he joined the School of Engineering of Westlake University as an Assistant Professor, and is currently the head of Materials Modeling and Design Lab. He has received a number of awards, including the R&D 100 Award (team member, 2016), the Marie Skłodowska-Curie Individual Fellowship (2017), and the Junior Research Fellowship of Wolfson College (2017).

The research of our group is centered on first-principles understanding of the electron-phonon interactions, charge transport, and phase transitions in advanced functional materials, in particular chalcogenides. The group is also interested in molecular modeling and machine-learning assisted design of self-assembled soft materials. Employing first-principles calculations, materials theory, multiscale modeling, and artificial intelligence (AI), we aim to provide fundamental insights into the structure and properties of functional materials, as well as accelerating the discovery of new materials through computational and AI-assisted design.

1. S. Zhao, C. Yang, Z. Zhu, X. Yao, W. Li*, Curvature-Controlled Band Alignment Transition in 1D van der Waals Heterostructures, npj Computational Materials, 9, 92 (2023)

2. T. Xu^#, J. Wang^#, S. Zhao^#, D. Chen^#, H. Zhang, Y. Fang, N. Kong, Z. Zhou, W. Li*, H. Wang*, Accelerating the Prediction and Discovery of Peptide Hydrogels with Human-in-the-Loop, Nature Communications, 14, 3880 (2023)

3. J. Wang^#, Z. Liu^#, S. Zhao^#, T. Xu^#, H. Wang*, S. Z. Li*, W. Li*, Deep Learning Empowers the Discovery of Self-Assembling Peptides with Over 10 Trillion Sequences, Advanced Science, 2301544 (2023)

4. M. Wu^#, Z. Lou^#, C.-M. Dai^#, T. Wang, J. Wang, Z. Zhu, Z. Xu, T. Sun, W. Li*, X. Zheng*, and X. Lin*, Achieving Ferroelectricity in a Centrosymmetric High-Performance Semiconductor by Strain Engineering, Advanced Materials, 35, 2300450 (2023)

5. Z. Zhu, X. Yao, S. Zhao, X. Lin, W. Li*, Giant Modulation of the Electron Mobility in Semiconductor Bi₂O₂Se via Incipient Ferroelectric Phase Transition, Journal of the American Chemical Society, 144, 4541-4549 (2022)

6. W. Li*, X. Qian, J. Li*, Phase Transitions in 2D Materials, Nature Reviews Materials, 6, 829-846 (2021)

7. W. Li, F. Giustino, Many-Body Renormalization of the Electron Effective Mass of InSe, Physical Review B, 101, 035201 (2020)

8. S. Poncé*, W. Li*, S. Reichardt*, F. Giustino*, First-Principles Calculations of Charge Carrier Mobility and Conductivity in Bulk Semiconductors and Two-Dimensional Materials, Reports on Progress in Physics, 83, 036501 (2020)

9. W. Li, S. Poncé, F. Giustino, Dimensional Crossover in the Carrier Mobility of 2D Semiconductors: The Case of InSe, Nano Letters, 19, 1774-1781 (2019)

10. W. Li, L. Sun, J. Qi, P. Jarrilo-Herrero, M. Dincǎ and J. Li, High Temperature Ferromagnetism in π-Conjugated Two-Dimensional Metal-Organic Frameworks, Chemical Science, 8, 2859-2867 (2017)

11. W. Li and J. Li, Ferroelasticity and Domain Physics in Two-Dimensional Transition Metal Dichalcogenides, Nature Communications, 7, 10843 (2016)

Google Scholar Homepage: https://scholar.google.com/citations?hl=en&user=rZ7mgIUAAAAJ