Peiyuan Yu received his B.Sc. from Nanyang Technological University in 2012. He completed his Ph.D. at University of California, Los Angeles (UCLA) in 2017 under the guidance of Professor Kendall N. Houk. His graduate research focused on the computational studies on the reactivity, selectivity and molecular dynamics of cycloaddition reactions. From 2017 to 2019, he was a postdoctoral fellow at Lawrence Berkeley National Laboratory, where he performed theoretical, computational and experimental research in the field of thermochemical energy storage. He joined the faculty at the Department of Chemistry, Southern University of Science and Technology (SUSTech) in September 2019.

PUBLICATIONS

1. Leveraging triatropic rearrangements for stereoselective skeletal reshuffling. Niu, Y.†; Chen, Y.†; Zhou, M.; Zeng, H.; Wang, K.; Yu, P.*; Dong, Z.* Science 2026, 391, 117.

2. Generation of molecular conformations using generative adversarial neural networks. Xu, C.; Deng, X.; Lu, Y.; Yu, P.* Digit. Discov. 2025, 4, 161. 

3. High-Throughput Computational Study and Machine Learning Prediction of Electronic Properties in Transition Metal Dichalcogenide/Two-Dimensional Layered Halide Perovskite Heterostructures. Xu, C.; Deng, X.; Yu, P.* ACS Appl. Mater. Interfaces 2024, 16, 55970.

4. Copper-catalysed asymmetric hydroboration of alkenes with 1,2-benzazaborines to access chiral naphthalene isosteres. Su, W.; Zhu, J.; Chen, Y.; Zhang, X.; Qiu, W.; Yang, K.*; Yu, P.*; Song, Q.* Nat. Chem. 2024, 16, 1312.

5. Asymmetric Phosphoric Acid–Catalyzed Four-Component Ugi Reaction. Zhang, J.†; Yu, P.†; Li, S.-Y.; Sun, H.; Xiang, S.-H.; Wang, J.; Houk, K. N.*; Tan, B.* Science 2018, 361, eaas8707.