Stijn De Baerdemacker

Associate Professor & Canada Research Chair Tier 2

University of New Brunswick

Canada

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About

Stijn De Baerdemacker is an Associate Professor and Canada Research Chair Tier 2 at the University of New Brunswick, Canada. His research focuses on electronic structure methods, chemical graph neural networks, and variational quantum eigensolvers. Recent publications include works on spin-symmetry methods, chemical reactions as linear analogies, and the analysis of phase transitions in quantum systems.

Articles (16)

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2025

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2025

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2025

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2024

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2024

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2023

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2022

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2022

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2022

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2022

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2022

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2021

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2021

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2020

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2020

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2020

Collaborators (3)

Dimitri Van Neck

Ghent University

BELGIUM

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Guillaume Acke

BELGIUM

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Paul Johnson

Professeur Agrégé

Laval University

CANADA

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Stijn De Baerdemacker

Research Interests

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Articles (16)

Spin-generator coordinate method for electronic structure

Spin-Symmetry Projected Constrained Unrestricted Hartree–Fock

“Amide − amine + alcohol = carboxylic acid.” chemical reactions as linear algebraic analogies in graph neural networks

Transfer learning graph representations of molecules for pKa, 13C-NMR, and solubility

Global geometry of chemical graph neural network representations in terms of chemical moieties

Modular Cluster Circuits for the Variational Quantum Eigensolver

Conjectured DXZ decompositions of a unitary matrix

Capturing correlation in the spin frustrated H<sub>3</sub>-ring using the generator coordinate method and spin-constrained generalised Hartree-Fock states

Uncovering phase transitions that underpin the flat-planes in the tilted Hubbard model using subsystems and entanglement measures

Bivariational principle for an antisymmetrized product of nonorthogonal geminals appropriate for strong electron correlation

Uncovering Clar's aromatic ‐sextet rule in the Hubbard model using Maximum Probability Domain Partitions

Quantifying Delocalization and Static Correlation Errors by Imposing (Spin)Population Redistributions through Constraints on Atomic Domains

The seniority quantum number in Tensor Network States

The decomposition of an arbitrary 2  × 2 unitary matrix into signed permutation matrices

Richardson–Gaudin mean-field for strong correlation in quantum chemistry

Hierarchies of quantum chemical descriptors induced by statistical analyses of domain occupation number operators

Collaborators (3)

Dimitri Van Neck

Guillaume Acke

Paul Johnson

Make your next move.

Stijn De Baerdemacker

Research Interests

Explore related searches

Contact this professor

About

Articles (16)

Spin-generator coordinate method for electronic structure

Spin-Symmetry Projected Constrained Unrestricted Hartree–Fock

“Amide − amine + alcohol = carboxylic acid.” chemical reactions as linear algebraic analogies in graph neural networks

Transfer learning graph representations of molecules for pKa, 13C-NMR, and solubility

Global geometry of chemical graph neural network representations in terms of chemical moieties

Modular Cluster Circuits for the Variational Quantum Eigensolver

Conjectured DXZ decompositions of a unitary matrix

Capturing correlation in the spin frustrated H<sub>3</sub>-ring using the generator coordinate method and spin-constrained generalised Hartree-Fock states

Uncovering phase transitions that underpin the flat-planes in the tilted Hubbard model using subsystems and entanglement measures

Bivariational principle for an antisymmetrized product of nonorthogonal geminals appropriate for strong electron correlation

Uncovering Clar's aromatic ‐sextet rule in the Hubbard model using Maximum Probability Domain Partitions

Quantifying Delocalization and Static Correlation Errors by Imposing (Spin)Population Redistributions through Constraints on Atomic Domains

The seniority quantum number in Tensor Network States

The decomposition of an arbitrary 2 × 2 unitary matrix into signed permutation matrices

Richardson–Gaudin mean-field for strong correlation in quantum chemistry

Hierarchies of quantum chemical descriptors induced by statistical analyses of domain occupation number operators

Collaborators (3)

Dimitri Van Neck

Guillaume Acke

Paul Johnson

Make your next move.

The decomposition of an arbitrary 2  × 2 unitary matrix into signed permutation matrices