Faculty profile
Stijn De Baerdemacker
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Research
Latest papers
From Dipeptide Systems to Polypeptides: Evolution of Mutual Information.
ACS omega · 2026 · senior author
Divide and correlate: mapping electronic correlations in proteins via local cut-wise reconstruction.
Chemical communications (Cambridge, England) · 2026 · senior author
Seniority-zero states are mean-field wavefunctions
Journal of Chemical Physics · 2025
Latest funding
- $497,600
Quantum Information, Chemistry, Materials and Machine learning for Intermediate-scale Quantum Computing
NSERC · 2023 · Co-investigator
- $100,000
Theoretical Chemistry
NSERC · 2022 · Principal investigator
- $170,000
Strong electron correlations in quantum chemistry: new approaches from machine learning, quantum computing and time-dependent quantum control
NSERC · 2020 · Principal investigator
11 publications.
From Dipeptide Systems to Polypeptides: Evolution of Mutual Information.
Javaheri Moghadam M, Boguslawski K, Tecmer P, De Baerdemacker S
Divide and correlate: mapping electronic correlations in proteins via local cut-wise reconstruction.
Moghadam MJ, Mulder R, De Baerdemacker S
Seniority-zero states are mean-field wavefunctions
González MM, Calero-Osorio DF, Richer M, Masschelein C, Wang S, Johnson PA, De Baerdemacker S, Ayers PW
Spin-generator coordinate method for electronic structure.
Ayati A, Burton HGA, Bultinck P, De Baerdemacker S
"Amide - amine + alcohol = carboxylic acid." chemical reactions as linear algebraic analogies in graph neural networks.
El-Samman AM, De Baerdemacker S
Spin-Symmetry Projected Constrained Unrestricted Hartree-Fock.
Ayati A, Burton HGA, De Baerdemacker S
Modular Cluster Circuits for the Variational Quantum Eigensolver.
Ghasempouri SE, Dueck GW, De Baerdemacker S
Uncovering phase transitions that underpin the flat-planes in the tilted Hubbard model using subsystems and entanglement measures.
De Vriendt X, Van Hende D, De Baerdemacker S, Bultinck P, Acke G
Uncovering Clar's aromatic π -sextet rule in the Hubbard model using Maximum Probability Domain Partitions.
Tolstykh D, Lemmens L, De Baerdemacker S, Van Neck D, Bultinck P, Acke G
Quantifying Delocalization and Static Correlation Errors by Imposing (Spin)Population Redistributions through Constraints on Atomic Domains.
De Vriendt X, Lemmens L, De Baerdemacker S, Bultinck P, Acke G
Quantum Information, Chemistry, Materials and Machine learning for Intermediate-scale Quantum Computing
Principal investigators: Gerolin, Augusto A
Keywords: density matrix functional theory; optimal transport; quantum information; quantum optimal transport; quantum reservoir computing; strongly correlated electron systems
Theoretical Chemistry
Principal investigators: De Baerdemacker, Stijn
Keywords: quantum chemistry; theoretical chemistry; electron correlation; explainable machine learning; quantum circuit design; time-dependent quantum systems; quantum computing
Strong electron correlations in quantum chemistry: new approaches from machine learning, quantum computing and time-dependent quantum control
Principal investigators: De Baerdemacker, Stijn
Keywords: quantum chemistry; electronic structure of atoms and molecules; machine learning; quantum computation; computational chemistry; neural networks; quantum many-body theory; laser chemistry; molecular properties and interactions with photons; exactly solvable models
Strong electron correlations in quantum chemistry: new approaches from machine learning, quantum computing and time-dependent quantum control
Principal investigators: De Baerdemacker, Stijn
Theoretical Chemistry
Principal investigators: De Baerdemacker, Stijn
Theoretical Chemistry
Principal investigators: DeBaerdemacker, Stijn
Theoretical Chemistry
Principal investigators: De Baerdemacker, Stijn
Keywords: quantum many-body theory quantum chemistry theoretical chemistry mathematical physics machine learning
From CIHR, NSERC and SSHRC funding decisions: CIHR since 2008, NSERC since 1991 and SSHRC since 1998, including their latest published competition results.
Frequent collaborators
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