1997—2006年就读于北京师范大学化学系，获物理化学博士学位。2006—2016年先后在西班牙马德里自治大学和IMDEA 纳米研究所开展博士后工作（2009—2011年Juan de la Cierva学者）。2016—2018年任马德里自治大学助理教授。2018年入选国家级青年人才。2018年6月入职扬州大学。2020年12月获教授职称。2021年入选江苏省“双创人才”。

长期从事理论与计算化学、第一性原理材料模拟等方面的研究。目前主要研究兴趣包括：纳米团簇的结构、稳定性及反应活性；功能材料的设计与模拟；新型单原子催化剂的设计与应用；化学成键分析及化学共振分析理论的发展与应用等

Z. Li, X. Chen, Y. Wang*. Deep Learning-Driven Prediction of Chemical Addition Patterns for Carboncones and Fullerenes. Phys. Chem. Chem. Phys. 2025, accepted. DOI: 10.1039/D4CP03238A J. Hu, R. Zhao, J. Ni, W. Luo, H. Yu*, H. Huang*, B. Wu*, Y. Wang*, J. Han*, R. Guo. Enhanced Ferroelectric Polarization in Au@BaTiO3 Yolk-in-Shell Nanostructure for Synergistic Boosting Visible-Light- Piezocatalytic CO2 Reduction. Adv. Sci. 2024, 11, 2410357. L. Nie, Y. Sun*, Y. Wang*. Computational insights into Diels–Alder reactions of paramagnetic endohedral metallofullerenes: M@C82 (M = Sc, Y, La) and La@C72. Phys. Chem. Chem. Phys. 2024, 26, 25788-25797. J. Hu, R. Zhao, J. Gu, Z. Xi*, Y. Wang, X. Sun, Z. Xu, K. Sha, J. Xi, Y. Liu*, J. Han*, R. Guo. Crystal Facet Controlled Metal–Support Interaction in Uricase Mimics for Highly Efficient Hyperuricemia Treatment. Nano Lett. 2024, 24, 6634–6643. R. Liu, J. Wang, H. Wu, X. Quan, S. Wang, J. Guo, Y. Wang, H. Li. Stereocontrol in an intermolecular Schmidt reaction of equilibrating hydroxyalkyl allylic azides. Chem. Commun. 2024, 60, 4362-4365. X. He, Y. Zhou, Y. Sun, Y. Wang*. Improving stability, mechanical and electronic properties of pentadiamond by doping with alkali or alkaline-earth metals: A first-principles investigation. Diam. Relat. Mater. 2024, 144, 110958. K. Du, Y. Wang*. Generalized kekulenes and clarenes as novel families of cycloarenes: structures, stability, and spectroscopic properties. Phys. Chem. Chem. Phys. 2024, 26, 7877-7889. Y. Wang*, Y. Zhou, K. Du. Enumeration, Nomenclature, and Stability Rules of Carbon Nanobelts. J. Chem. Inf. Model. 2024, 64, 1261–1276. L. Qu, X. Feng, L. Ma, Yang Y. Wang*, S. W. Ng, Guang Yang*. J. K. Kim, H. S. Park, H. Pang*. Adducts of a Triangular Copper(I) Pyrazolate with Thiophenic Compounds Featuring Short Cu(I)−S Contacts. Cryst. Growth Des. 2023, 23, 9132−9139. X. Yu*, L. Lin, C. Pei, S. Ji, Y. Sun*, Y. Wang, J. K. Kim, H. S. Park, H. Pang*. Immobilizing Bimetallic RuCo Nanoalloys on Few-layered MXene as a Robust Bifunctional Electrocatalyst for Overall Water Splitting. Chem. Eur. J. 2024, 30, e202303524. K. Du, Y. Wang*. Infinitenes as the Most Stable Form of Cycloarenes: The Interplay Between π Delocalization, Strain, and π-π Stacking. J. Am. Chem. Soc. 2023, 145, 10763–10778. [Selected as Supplementary Cover of JACS] Z. Li*, X. Lu, R. Zhao, S. Ji, M. Zhang, J. H. Horton, Y. Wang*, Q. Xu*, J. Zhu. A Heterogeneous Single Atom Cobalt Catalyst for Highly Efficient Acceptorless Dehydrogenative Coupling Reactions. Small. 2023, 19, 2207941. J. Sun, Y. Wang*. How Does Spin Play with the Cycloaddition to Paramagnetic Endohedral Metallofullerenes? The Curious Case of TiSc2N@C80. Inorg. Chem. 2022, 61, 19183–19192. X. Chen, Y. Sun, Y. Wang*. Stereo- and Regioselectivity of Hydrogenation of a Recently Synthesized Carboncone and Its Predictive Models. J. Org. Chem. 2022, 87, 10755–10767. F. Guo, M. Yang, R.-X. Li, Z.-Z. He, Y. Wang*, W.-Y. Sun*. Nanosheet-Engineered NH2-MIL-125 with Highly Active Facets for Enhanced Solar CO2 Reduction. ACS Catal. 2022, 12, 9486–9493. R. Li, Y. Wang*. Titanium-doped Boron Nitride Fullerenes as Novel Single-atom Catalysts for CO Oxidation. Catal. Lett. 2022, 152, 1742–1751. R. Zhao, Y. Wang*. Revisiting the Mechanism of Highly Efficient CO Oxidation by Single Iron Atom Catalysis on Pt(100). Mater. Today Commun. 2022, 31, 103609. J. Ma, Y. Wang*. Structures and Electromagnetic Properties of Boron Nitride Nanoribbons Doped with Transition Metals. ChemPhysChem. 2022, 23, e202200144. Y. Wang*. Quantitative Resonance Theory Based on the Clar Sextet Model. J. Phys. Chem. A. 2022, 126, 164–176. X. Feng, L. Qu, X. Chen, L. Yang, Y. Zhang*, Y. Wang*, S. W. Ng, G. Yang*. Efficient Adsorptive Removal of Dibenzothiophenes from Liquid Fuel over a Novel Triangular Ag(I) Complex. Sep. Purif. Technol. 2022, 284, 120289. Y. Wang*. Extension and Quantification of the Fries Rule and Its Connection to Aromaticity: Large-Scale Validation by Wave-Function-Based Resonance Analysis. J. Chem. Inf. Model. 2022, 62, 5136–5148. R. Zhao, Y. Wang*. High-Performance Single-Atom Catalysts for CO Oxidation: The Importance of Hydrogen Bonds and Adsorption Strength of the Reactant. J. Phys. Chem. C. 2021, 125, 15987–15993. S.-C. Zhan, R.-J. Fang, R.-Y. Yang, R.-F. Zhao, Y. Wang*, J. Sun, C.-G. Yan*. DDQ Dehydrogenative Diels-Alder Reaction for Synthesis of Functionalized Spiro[carbazole-1,3'-indolines] and Spiro[carbazole-1,5'-pyrimidines]. New J. Chem. 2021, 45, 15423–15428. Y. Wang*. Response to comment on “Superposition of waves or densities: Which is the nature of chemical resonance?” J. Comput. Chem. 2021, 42, 1341–1343. Y. Wang*. A Reliable and Efficient Resonance Theory Based on Analysis of DFT Wave Functions. Phys. Chem. Chem. Phys. 2021, 23, 2331–2348. Y. Wang*. Superposition of Waves or Densities: Which is the Nature of Chemical Resonance? J. Comput. Chem. 2021, 42, 412–417. L. Wang, Y. Wang*. Exploring Reactivity and Regioselectivity of Dimerization of Paramagnetic Endohedral Metallofullerenes. Inorg. Chem. 2020, 59, 10962–10975. P. Pla, Y. Wang, F. Martín, M. Alcamí*. Hydrogenated polycyclic aromatic hydrocarbons: isomerism and aromaticity. Phys. Chem. Chem. Phys. 2020, 22, 21968-21976. P. Pla, Y. Wang, F. Martín, M. Alcamí*. Isomers of Hydrogenated Polycyclic Aromatic Hydrocarbons Explain the Presence of Infrared Bands in the 3 μm Region. Astrophys. J. 2020, 899, 18. J. Cao, R.-G. Shi, J. Sun*, D. Liu, R.. Liu*, X. Xia, Y. Wang*, C.-G. Yan*. Domino Reaction of Aromatic Aldehydes and 1,3-Indanediones for Construction of Bicyclo[2.2.2]octanes and Dibenzo[b,g]indeno[1′,2′:3,4]fluoreno[1,2-d]oxonines. J. Org. Chem. 2020, 85, 2168–2179. R. Li, Y. Wang*. Modification of boron nitride nanocages by titanium doping results unexpectedly in exohedral complexes. Nat. Commun. 2019, 10, 4908. Y. Wang*, S. Díaz-Tendero, M. Alcamí, F. Martín*. Aromaticity, Coulomb repulsion, π delocalization or strain: who is who in endohedral metallofullerene stability? Phys. Chem. Chem. Phys. 2019, 21, 124–131. Y. Wang*. Maximum bonding fragment orbitals for deciphering complex chemical interactions. Phys. Chem. Chem. Phys. 2018, 20, 13792–13809. [Selected as 2018 PCCP HOT Articles] P. Pla, Y. Wang*, M. Alcamí*. Simple Bond Patterns Predict the Stability of Diels–Alder Adducts of Empty Fullerenes. Chem. Commun. 2018, 54, 4156–4159. Y. Wang*, S. Díaz-Tendero, M. Alcamí, F. Martín. Topology-Based Approach to Predict Relative Stabilities of Charged and Functionalized Fullerenes. J. Chem. Theory Comput. 2018, 14, 1791–1810.