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S

Stijn De Baerdemacker

University of New Brunswick

25H-index
156Paper Count
2.1KCitation Count
Published Papers 30
Publication Date
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Occupancies vs embeddings: internal representations of Ab Initio and graph probabilistic models.
errTheoretical Chemistry Accounts
IF1.5
err2026-01-08
err0
PREAI
errHusain, Ince Amina; El-Samman, Amer Marwan; De Baerdemacker, Stijn
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Spin-Symmetry Projected Constrained Unrestricted Hartree-Fock
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-05-21
err0
errOAAI
errAyati, Amir; Burton, Hugh G. A.; De Baerdemacker, Stijn
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Amide - amine plus alcohol = carboxylic acid. chemical reactions as linear algebraic analogies in graph neural networks
errCHEMICAL SCIENCE
IF7.4
err2025-01-01
err0
errOAAI
errEl-Samman, Amer Marwan; De Baerdemacker, Stijn
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Global geometry of chemical graph neural network representations in terms of chemical moieties
errDIGITAL DISCOVERY
IF5.6
err2024-01-01
err6
errOAAI
errEl-Samman, Amer Marwan; Husain, Ince Amina; Huynh, Mai; De Castro, Stefano; Morton, Brooke; De Baerdemacker, Stijn
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Uncovering phase transitions that underpin the flat-planes in the tilted Hubbard model using subsystems and entanglement measures
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-06-30
err3
errOAAI
errDe Vriendt, Xeno; Van Hende, Daria; De Baerdemacker, Stijn; Bultinck, Patrick; Acke, Guillaume
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Uncovering Clar's aromatic π-sextet rule in the Hubbard model using Maximum Probability Domain Partitions
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2022-01-08
err3
errOAAI
errTolstykh, Daria; Lemmens, Laurent; De Baerdemacker, Stijn; Van Neck, Dimitri; Bultinck, Patrick; Acke, Guillaume
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Quantifying Delocalization and Static Correlation Errors by Imposing (Spin)Population Redistributions through Constraints on Atomic Domains
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-10-01
err6
errOAAI
errDe Vriendt, Xeno; Lemmens, Laurent; De Baerdemacker, Stijn; Bultinck, Patrick; Acke, Guillaume
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Richardson-Gaudin mean-field for strong correlation in quantum chemistry
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-09-09
err39
errOAAI
errJohnson, Paul A.; Fecteau, Charles-Emile; Berthiaume, Frederic; Cloutier, Samuel; Carrier, Laurie; Gratton, Marianne; Bultinck, Patrick; De Baerdemacker, Stijn; Van Neck, Dimitri; Limacher, Peter; Ayers, Paul W.
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Hierarchies of quantum chemical descriptors induced by statistical analyses of domain occupation number operators
errWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
err2019-12-30
err5
errOAAI
errAcke, Guillaume; De Baerdemacker, Stijn; Martin Pendas, Angel; Bultinck, Patrick
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Method for making 2-electron response reduced density matrices approximately N-representable
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2018-02-22
err10
errOAAI
errLanssens, Caitlin; Ayers, Paul W.; Van Neck, Dimitri; De Baerdemacker, Stijn; Gunst, Klaas; Bultinck, Patrick
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Direct variational determination of the two-electron reduced density matrix for doubly occupied-configuration-interaction wave functions: The influence of three-index N-representability conditions
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2018-01-09
err32
errOAAI
errAlcoba, Diego R.; Torre, Alicia; Lain, Luis; Massaccesi, Gustavo E.; Ona, Ofelia B.; Honore, Eduardo M.; Poelmans, Ward; Van Neck, Dimitri; Bultinck, Patrick; De Baerdemacker, Stijn
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Variational method for integrability-breaking Richardson-Gaudin models
errPHYSICAL REVIEW B
IF3.7
err2017-10-30
err9
errOAAI
errClaeys, Pieter W.; Caux, Jean-Sebastien; Van Neck, Dimitri; De Baerdemacker, Stijn
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errSave
Block product density matrix embedding theory for strongly correlated spin systems
errPHYSICAL REVIEW B
IF3.7
err2017-05-11
err20
errOAAI
errGunst, Klaas; Wouters, Sebastian; De Baerdemacker, Stijn; Van Neck, Dimitri
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Read-Green resonances in a topological superconductor coupled to a bath
errPHYSICAL REVIEW B
IF3.7
err2016-06-09
err16
errOAAI
errClaeys, Pieter W.; De Baerdemacker, Stijn; Van Neck, Dimitri
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Polynomial scaling approximations and dynamic correlation corrections to doubly occupied configuration interaction wave functions
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2015-09-11
err32
errOAAI
errVan Raemdonck, Mario; Alcoba, Diego R.; Poelmans, Ward; De Baerdemacker, Stijn; Torre, Alicia; Lain, Luis; Massaccesi, Gustavo E.; Van Neck, Dimitri; Bultinck, Patrick
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Variational Optimization of the Second-Order Density Matrix Corresponding to a Seniority-Zero Configuration Interaction Wave Function
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2015-08-14
err51
errOAAI
errPoelmans, Ward; Van Raemdonck, Mario; Verstichel, Brecht; De Baerdemacker, Stijn; Torre, Alicia; Lain, Luis; Massaccesi, Gustavo E.; Alcoba, Diego R.; Bultinck, Patrick; Van Neck, Dimitri
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CHEMPS2: Improved DMRG-SCF routine and correlation functions
errCOMPUTER PHYSICS COMMUNICATIONS
IF3.4
err2015-06-01
err15
PREAI
errWouters, Sebastian; Poelmans, Ward; De Baerdemacker, Stijn; Ayers, Paul W.; Van Neck, Dimitri
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Eigenvalue-based method and form-factor determinant representations for integrable XXZ Richardson-Gaudin models
errPHYSICAL REVIEW B
IF3.7
err2015-04-03
err52
errOAAI
errClaeys, Pieter W.; De Baerdemacker, Stijn; Van Raemdonck, Mario; Van Neck, Dimitri
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errSave
Nonvariational Orbital Optimization Techniques for the AP1roG Wave Function
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2014-10-13
err72
PREAI
errBoguslawski, Katharina; Tecmer, Pawel; Bultinck, Patrick; De Baerdemacker, Stijn; Van Neck, Dimitri; Ayers, Paul W.
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Projected seniority-two orbital optimization of the antisymmetric product of one-reference orbital geminal
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2014-06-06
err82
errOAAI
errBoguslawski, Katharina; Tecmer, Pawel; Limacher, Peter A.; Johnson, Paul A.; Ayers, Paul W.; Bultinck, Patrick; De Baerdemacker, Stijn; Van Neck, Dimitri
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Research Directions

No research directions
Co-authors
Cooperation Journals
P
Paul W. Ayers
H-index: 76 · Papers: 518
J
J. Jolie
H-index: 59 · Papers: 932
P
Patrick Bultinck
H-index: 53 · Papers: 378
Á
Ángel Martín Pendás
H-index: 51 · Papers: 341
J
Jean-Sébastien Caux
H-index: 46 · Papers: 154
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