Patrick Bultinck

Vermeyen, Tom, et al. “Impact of Conformation and Intramolecular Interactions on Vibrational Circular Dichroism Spectra Identified with Machine Learning.” COMMUNICATIONS CHEMISTRY, vol. 6, no. 1, 2023, doi:10.1038/s42004-023-00944-z.

Acke, Guillaume, et al. “Extending Conceptual Density Functional Theory toward First-Order Reduced Density Matrices: An Open Subsystems Viewpoint on the Fukui Matrix.” Journal of Chemical Theory and Computation, vol. 19, no. 16, American Chemical Society (ACS), 2023, pp. 5418–26, doi:10.1021/acs.jctc.3c00080.

De Baerdemacker, Stijn, et al. Spin-Constrained Hartree-Fock and the Generator Coordinate Method for  the 2-Site Hubbard Model. 2023.

De Vriendt, Xeno, et al. “Uncovering Phase Transitions That Underpin the Flat-Planes in the Tilted Hubbard Model Using Subsystems and Entanglement Measures.” JOURNAL OF CHEMICAL PHYSICS, vol. 156, no. 24, 2022, doi:10.1063/5.0092153.

Van Hende, Daria, et al. “Uncovering Clar’s Aromatic Pi-Sextet Rule in the Hubbard Model Using Maximum Probability Domain Partitions.” JOURNAL OF COMPUTATIONAL CHEMISTRY, vol. 43, no. 7, 2022, pp. 457–64, doi:10.1002/jcc.26806.