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Researcher
Guillaume Acke
Profile
Projects
Publications
Activities
Awards & Distinctions
30
Results
2023
Capturing correlation in the spin frustrated H3-ring using the generator coordinate method and spin-constrained generalised Hartree-Fock states
Xeno De Vriendt
John De Vos
Stijn De Baerdemacker
Patrick Bultinck
Guillaume Acke
A2
Journal Article
in
MOLECULAR PHYSICS
2023
Crosstalk between glucocorticoid and mineralocorticoid receptors boosts glucocorticoid-induced killing of multiple myeloma cells
Dorien Clarisse
Stefan Prekovic
Philip Vlummens
Eleni Staessens
Karlien Van Wesemael
Jonathan Thommis
Daria Fijalkowska
Guillaume Acke
Wilbert Zwart
Ilse M. Beck
et al.
A1
Journal Article
in
CELLULAR AND MOLECULAR LIFE SCIENCES
2023
Extending conceptual density functional theory toward first-order reduced density matrices : an open subsystems viewpoint on the Fukui matrix
Guillaume Acke
Daria Van Hende
Xeno De Vriendt
Patrick Bultinck
A1
Journal Article
in
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
2023
Spin-constrained Hartree-Fock and the generator coordinate method for the 2-site Hubbard model
Stijn De Baerdemacker
Amir Ayati
Hugh G. A. Burton
Xeno De Vriendt
Patrick Bultinck
Guillaume Acke
Bookchapter
2023
2022
Analyzing the behavior of spin phases in external magnetic fields by means of spin-constrained states
Laurent Lemmens
Xeno De Vriendt
Patrick Bultinck
Guillaume Acke
A1
Journal Article
in
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
2022
Design, implementation and application of a semantic computational toolbox for novel electronic structure method development
Laurent Lemmens
Patrick Bultinck
Guillaume Acke
Dissertation
2022
Uncovering Clar's aromatic pi-sextet rule in the Hubbard model using Maximum Probability Domain Partitions
Daria Van Hende
Laurent Lemmens
Stijn De Baerdemacker
Dimitri Van Neck
Patrick Bultinck
Guillaume Acke
A1
Journal Article
in
JOURNAL OF COMPUTATIONAL CHEMISTRY
2022
Uncovering phase transitions that underpin the flat-planes in the tilted Hubbard model using subsystems and entanglement measures
Xeno De Vriendt
Daria Van Hende
Stijn De Baerdemacker
Patrick Bultinck
Guillaume Acke
A1
Journal Article
in
JOURNAL OF CHEMICAL PHYSICS
2022
2021
Exploring machine learning methods for absolute configuration determination with vibrational circular dichroism
Tom Vermeyen
Jure Brence
Robin Van Echelpoel
Roy Aerts
Guillaume Acke
Patrick Bultinck
Wouter Herrebout
A1
Journal Article
in
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
2021
GQCP : the Ghent quantum chemistry package
Laurent Lemmens
Xeno De Vriendt
Daria Van Hende
Tobias Huysentruyt
Patrick Bultinck
Guillaume Acke
A1
Journal Article
in
JOURNAL OF CHEMICAL PHYSICS
2021
Polyaddition synthesis using alkyne esters for the design of vinylogous urethane vitrimers
Yann Spiesschaert
Jens Danneels
Niels Van Herck
Marc Guerre
Guillaume Acke
Johan Winne
Filip Du Prez
A1
Journal Article
in
MACROMOLECULES
2021
Quantifying delocalization and static correlation errors by imposing (spin)population redistributions through constraints on atomic domains
Xeno De Vriendt
Laurent Lemmens
Stijn De Baerdemacker
Patrick Bultinck
Guillaume Acke
A1
Journal Article
in
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
2021
2020
Hierarchies of quantum chemical descriptors induced by statistical analyses of domain occupation number operators
Guillaume Acke
Stijn De Baerdemacker
Angel Martin Pendas
Patrick Bultinck
A1
Journal Article
in
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
2020
2019
Quantifying the conceptual problems associated with the isotropic NICS through analyses of its underlying density
Guillaume Acke
Sofie Van Damme
Remco WA Havenith
Patrick Bultinck
A1
Journal Article
in
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
2019
2018
A polynomial-scaling algorithm for computing the probability of observing specified numbers of electrons in multiple domains using correlation functions
Paul Ayers
Guillaume Acke
Stijn Fias
Debajit Chakraborty
Patrick Bultinck
Bookchapter
in
Theoretical and quantum chemistry at the dawn of the 21st century
2018
Interpreting the behavior of the NICSzz by resolving in orbitals, sign, and positions
Guillaume Acke
Sofie Van Damme
Remco Havenith
Patrick Bultinck
A1
Journal Article
in
JOURNAL OF COMPUTATIONAL CHEMISTRY
2018
The influence of correlation on (de)localization indices from a valence bond perspective
Guillaume Acke
Patrick Bultinck
A1
Journal Article
in
JOURNAL OF MOLECULAR MODELING
2018
2016
Can the current density map topology be extracted from the nucleus independent chemical shifts?
Sofie Van Damme
Guillaume Acke
Remco Havenith
Patrick Bultinck
A1
Journal Article
in
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
2016
Constrained CI calculations to investigate charge transfer and the effects of the integer nature of the electron
Mario Van Raemdonck
Stijn De Baerdemacker
Guillaume Acke
Frank De Proft
Dimitri Van Neck
Patrick Bultinck
C3
Conference
2016
Maximum probability domains : theoretical foundations and computational algorithms
Guillaume Acke
Patrick Bultinck
Dissertation
2016
Maximum probability domains for Hubbard models
Guillaume Acke
Stijn De Baerdemacker
Pieter Claeys
Mario Van Raemdonck
Ward Poelmans
Dimitri Van Neck
Patrick Bultinck
A1
Journal Article
in
MOLECULAR PHYSICS
2016
2015
Maximum probability domains
Guillaume Acke
Benoît Braïda
Patrick Bultinck
Ángel Martín Pendas
C3
Conference
2015
2014
Assessing the quality of new quantum chemical methods by comparison with Full CI exchange-correlation holes
Guillaume Acke
Helen van Aggelen
Paul W Ayers
Dimitri Van Neck
Patrick Bultinck
Carlos Cardenas
C3
Conference
2014
2013
Assessing the quality of new quantum chemical methods by comparison with Full CI exchange-correlation holes
Guillaume Acke
Helen van Aggelen
Paul W Ayers
Patrick Bultinck
Carlos Cardenas
C3
Conference
2013
Extended random phase approximation method for atomic excitation energies from correlated and variationally optimized second-order density matrices
Helen van Aggelen
Brecht Verstichel
Guillaume Acke
Matthias Degroote
Patrick Bultinck
Paul W Ayers
Dimitri Van Neck
A1
Journal Article
in
COMPUTATIONAL AND THEORETICAL CHEMISTRY
2013
Performance of DFT methods in momentum space : quantum similarity measures versus moments of momentum
Jelle Vandenbussche
Guillaume Acke
Patrick Bultinck
A1
Journal Article
in
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
2013
2012
Efficient calculation of reduced density matrices from Slater determinant expansions
Guillaume Acke
Patrick Bultinck
Koen De Bosschere
C3
Conference
2012
Influence of electron correlation and degeneracy on the Fukui matrix and extension of frontier molecular orbital theory to correlated quantum chemical methods
Patrick Bultinck
Dimitri Van Neck
Guillaume Acke
Paul W Ayers
A1
Journal Article
in
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
2012
Performance of DFT methodologies using momentum space quantum similarity on diatomic molecules
Jelle Vandenbussche
Guillaume Acke
Patrick Bultinck
C3
Conference
2012
The Fukui matrix : Fukui functions exposed!
Patrick Bultinck
Guillaume Acke
Dorien Clarisse
Dimitri Van Neck
Paul W Ayers
C3
Conference
2012