Dr. Bin Wang

Bin joined the ALGC group as a postdoctoral fellow funded by FWO in October 2025. His research focuses on the development of excited-state reactivity methodologies grounded in conceptual density functional theory. He is also advancing scaling-corrected density functional methods for the accurate simulation of large molecular and materials systems.

Selected Publications

B. Wang, P. Geerlings, F. Heidar-Zadeh, P. W. Ayers, F. De Proft, Exploring intrinsic bond properties with the Fukui matrix from conceptual density matrix functional theory. J. Chem. Theory Comput. 2025, 21, 1695-1708. doi:10.1021/acs.jctc.4c01627

B. Wang, P. Geerlings, S. Liu, F. De Proft, Extending the scope of conceptual density functional theory with second order analytical methodologies. J. Chem. Theory Comput. 2024, 20, 1169-1184. doi:10.1021/acs.jctc.3c01184

B. Wang, P. Geerlings, F. Heidar-Zadeh, P. W. Ayers, F. De Proft, Slope of the delocalization function is proportional to analytical hardness. J. Phys. Chem. Lett. 2024, 15, 11259-11267. doi:10.1021/acs.jpclett.4c02263

B. Wang, P. Geerlings, C. Van Alsenoy, F. Heider-Zadeh, P. W. Ayers, F. De Proft, Investigating the linear response function under approximations following the coupled-perturbed approach for atoms and molecules. J. Chem. Theory Comput. 2023, 19, 3223-3236. doi:10.1021/acs.jctc.3c00323