stijn de baerdemacker
University of New Brunswick
H-index: 26
North America-Canada
Top articles of stijn de baerdemacker
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Transfer learning graph representations of molecules for pKa, 13C-NMR, and solubility | Canadian Journal of Chemistry | Amer Marwan El-Samman Stefano De Castro Brooke Morton Stijn De Baerdemacker | 2024/2/16 |
Global geometry of chemical graph neural network representations in terms of chemical moieties | Digital Discovery | Amer Marwan El-Samman Incé Amina Husain Mai Huynh Stefano De Castro Brooke Morton | 2024 |
Spin-constrained Hartree-Fock and the generator coordinate method for the 2-site Hubbard model | arXiv preprint arXiv:2301.07865 | Stijn De Baerdemacker Amir Ayati Hugh GA Burton Xeno De Vriendt Patrick Bultinck | 2023/1/19 |
Global interpretability and geometry of graph convolu-tional neural networks for chemistry in terms of chemical moieties | Amer El-Samman Incé Husain Mai Huynh Stefano De Castro Brooke Morton | 2023/9/5 | |
Capturing correlation in the spin frustrated H3-ring using the generator coordinate method and spin-constrained generalised Hartree-Fock states | Molecular Physics | Xeno De Vriendt John De Vos Stijn De Baerdemacker Patrick Bultinck Guillaume Acke | 2023/5/19 |
Modular Cluster Circuits for the Variational Quantum Eigensolver | The Journal of Physical Chemistry A | Seyed Ehsan Ghasempouri Gerhard W Dueck Stijn De Baerdemacker | 2023/9/20 |
Conjectured DXZ decompositions of a unitary matrix | Linear Algebra and its Applications | Alexis De Vos Martin Idel Stijn De Baerdemacker | 2022/11/1 |
Uncovering phase transitions that underpin the flat-planes in the tilted Hubbard model using subsystems and entanglement measures | The Journal of Chemical Physics | Xeno De Vriendt Daria Van Hende Stijn De Baerdemacker Patrick Bultinck Guillaume Acke | 2022/6/28 |
Bivariational principle for an antisymmetrized product of nonorthogonal geminals appropriate for strong electron correlation | Computational and Theoretical Chemistry | Paul A Johnson Paul W Ayers Stijn De Baerdemacker Peter A Limacher Dimitri Van Neck | 2022/4/27 |
Uncovering Clar's aromatic‐sextet rule in the Hubbard model using Maximum Probability Domain Partitions | Journal of Computational Chemistry | Daria Van Hende Laurent Lemmens Stijn De Baerdemacker Dimitri Van Neck Patrick Bultinck | 2022/3/15 |
Quantifying Delocalization and Static Correlation Errors by Imposing (Spin) Population Redistributions through Constraints on Atomic Domains | Journal of Chemical Theory and Computation | Xeno De Vriendt Laurent Lemmens Stijn De Baerdemacker Patrick Bultinck Guillaume Acke | 2021/10/1 |
The seniority quantum number in Tensor Network States | SciPost Chemistry | Klaas Gunst Dimitri Van Neck Peter Andreas Limacher Stijn De Baerdemacker | 2021/1/15 |
When 2 is better than 1: Recent advances in the seniority scheme | American Chemical Society SciMeetings | Stijn De Baerdemacker | 2020/3/22 |
The decomposition of an arbitrary 2w× 2w unitary matrix into signed permutation matrices | Linear Algebra and its Applications | Alexis De Vos Stijn De Baerdemacker | 2020/12/1 |
Richardson–Gaudin mean-field for strong correlation in quantum chemistry | The Journal of Chemical Physics | Paul A Johnson Charles-Émile Fecteau Frédéric Berthiaume Samuel Cloutier Laurie Carrier | 2020/9/14 |
Richardson-Gaudin mean-field for strong correlation in quantum chemistry Paul A. Johnson, Charles-Émile Fecteau, Frédéric Berthiaume, Samuel Cloutier, Laurie Carrier, and … | arXiv preprint arXiv:2007.10705 | Patrick Bultinck Stijn De Baerdemacker Dimitri Van Neck Peter Limacher Paul W Ayers | 2020/7 |
Co-Authors
