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Chemical Science|May 21, 2025
"Amide - amine + alcohol = carboxylic acid." chemical reactions as linear algebraic analogies in graph neural networksAmer Marwan El-Samman, Stijn De BaerdemackerChemical Communications (Cambridge, England)|January 26, 2026
Divide and correlate: mapping electronic correlations in proteins <i>via</i> local cut-wise reconstructionMostafa Javaheri Moghadam, Rebecca Mulder, Stijn De BaerdemackerThe Journal of Physical Chemistry. A|September 20, 2023
Modular Cluster Circuits for the Variational Quantum EigensolverSeyed Ehsan Ghasempouri, Gerhard W Dueck, Stijn De BaerdemackerJournal of Chemical Theory and Computation|May 21, 2025
Spin-Symmetry Projected Constrained Unrestricted Hartree-FockAmir Ayati, Hugh G A Burton, Stijn De BaerdemackerThe Journal of Chemical Physics|July 23, 2025
Spin-generator coordinate method for electronic structureAmir Ayati, Hugh G A Burton, Patrick Bultinck, et al.Journal of Chemical Theory and Computation|October 1, 2021
Quantifying Delocalization and Static Correlation Errors by Imposing (Spin)Population Redistributions through Constraints on Atomic DomainsXeno De Vriendt, Laurent Lemmens, Stijn De Baerdemacker, et al.Physical Review Letters|September 8, 2018
Spin Polarization through Floquet Resonances in a Driven Central Spin ModelPieter W Claeys, Stijn De Baerdemacker, Omar El Araby, et al.The Journal of Chemical Physics|July 1, 2022
Uncovering phase transitions that underpin the flat-planes in the tilted Hubbard model using subsystems and entanglement measuresXeno De Vriendt, Daria Van Hende, Stijn De Baerdemacker, et al.Journal of Computational Chemistry|January 8, 2022
Uncovering Clar's aromatic <math></math> -sextet rule in the Hubbard model using Maximum Probability Domain PartitionsDaria Tolstykh, Laurent Lemmens, Stijn De Baerdemacker, et al.Beilstein Journal of Nanotechnology|November 11, 2014
Quasi-1D physics in metal-organic frameworks: MIL-47(V) from first principlesDanny E P Vanpoucke, Jan W Jaeken, Stijn De Baerdemacker, et al.Pageof 2