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Researcher
Ward Poelmans
Profile
Projects
Publications
Activities
Awards & Distinctions
16
Results
2018
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
Diego R Alcoba
Alicia Torre
Luis Lain
Gustavo E Massaccesi
Ofelia B Ona
Eduardo M Honore
Ward Poelmans
Dimitri Van Neck
Patrick Bultinck
Stijn De Baerdemacker
A1
Journal Article
in
JOURNAL OF CHEMICAL PHYSICS
2018
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
Reproducibility in density functional theory calculations of solids
Kurt Lejaeghere
G Bihlmayer
T Bjorkman
P Blaha
S Blugel
V Blum
D Caliste
IE Castelli
SJ Clark
A Dal Corso
et al.
A1
Journal Article
in
SCIENCE
2016
2015
CheMPS2 : improved DMRG-SCF routine and correlation functions
Sebastian Wouters
Ward Poelmans
Stijn De Baerdemacker
Paul W Ayers
Dimitri Van Neck
A1
Journal Article
in
COMPUTER PHYSICS COMMUNICATIONS
2015
Polynomial scaling approximations and dynamic correlation corrections to doubly occupied configuration interaction wave functions
Mario Van Raemdonck
Diego R Alcoba
Ward Poelmans
Stijn De Baerdemacker
Alicia Torre
Luis Lain
Gustavo E Massaccesi
Dimitri Van Neck
Patrick Bultinck
A1
Journal Article
in
JOURNAL OF CHEMICAL PHYSICS
2015
Variational determination of the two-particle density matrix : the case of doubly-occupied space
Ward Poelmans
Dimitri Van Neck
Patrick Bultinck
Dissertation
2015
Variational optimization of the second-order density matrix corresponding to a seniority-zero configuration interaction wave function
Ward Poelmans
Mario Van Raemdonck
Brecht Verstichel
Stijn De Baerdemacker
Alicia Torre
Luis Lain
Gustavo E Massaccesi
Diego R Alcoba
Patrick Bultinck
Dimitri Van Neck
A1
Journal Article
in
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
2015
2014
CheMPS2: a free open-source spin-adapted implementation of the density matrix renormalization group for ab initio quantum chemistry
Sebastian Wouters
Ward Poelmans
Paul W Ayers
Dimitri Van Neck
A1
Journal Article
in
COMPUTER PHYSICS COMMUNICATIONS
2014
Critical analysis of the accuracy of models predicting or extracting liquid structure information
Marc Van Houteghem
An Ghysels
Toon Verstraelen
Ward Poelmans
Michel Waroquier
Veronique Van Speybroeck
A1
Journal Article
in
JOURNAL OF PHYSICAL CHEMISTRY B
2014
Variational optimization of the 2DM: approaching three-index accuracy using extended cluster constraints
Brecht Verstichel
Ward Poelmans
Stijn De Baerdemacker
Sebastian Wouters
Dimitri Van Neck
A1
Journal Article
in
EUROPEAN PHYSICAL JOURNAL B
2014
2013
Extensive v2DM study of the one-dimensional Hubbard model for large lattice sizes : exploiting translational invariance and parity
Brecht Verstichel
Helen van Aggelen
Ward Poelmans
Sebastian Wouters
Dimitri Van Neck
A1
Journal Article
in
COMPUTATIONAL AND THEORETICAL CHEMISTRY
2013
Variational determination of the two-particle reduced density matrix on the GPU
Ward Poelmans
Brecht Verstichel
Dimitri Van Neck
Patrick Bultinck
C3
Conference
2013
2012
Three particles constraint as linear inequalities in v2DM optimization
Ward Poelmans
Brecht Verstichel
Dimitri Van Neck
C3
Conference
2012
Variational density study of the one-dimensional Hubbard model : the need for three-particle constraints
Brecht Verstichel
Helen van Aggelen
Ward Poelmans
Dimitri Van Neck
C3
Conference
2012
Variational two-particle density matrix calculation for the Hubbard model below half filling using spin-adapted lifting conditions
Brecht Verstichel
Helen van Aggelen
Ward Poelmans
Dimitri Van Neck
A1
Journal Article
in
PHYSICAL REVIEW LETTERS
2012
2011
Reduced density matrix optimization using the boundary point
Ward Poelmans
C3
Conference
2011