Ward Poelmans

PhD Fellow (WE05)
+32 (0)9 264 65 76
Technologiepark 903, 9052 Zwijnaarde
Office n°020

A1 publications

2014

Critical analysis of the accuracy of models predicting or extracting liquid structure information , M. Van Houteghem, A. Ghysels, T. Verstraelen, W. Poelmans, M. Waroquier, V. Van Speybroeck , Journal of Physical Chemistry B , 118 (9), 2451–2470 , 2014 , IF: 3.607 , 34/134 [Q2]
CheMPS2: a free open-source spin-adapted implementation of the density matrix renormalization group for ab initio quantum chemistry , S. Wouters, W. Poelmans, P. W. Ayers, D. Van Neck , Computer Physics Communications , 185 (6) 1501-1514 , 2014 , IF: 3.078 , 1/55 [Q1]
Variational optimization of the 2DM: approaching three-index accuracy using extended cluster constraints , B. Verstichel, W. Poelmans, S. De Baerdemacker, S. Wouters, D. Van Neck , The European Physical Journal B , 87(3), 59 , 2014 , IF: 1.282

2013

Extensive v2DM study of the one-dimensional Hubbard model for large lattice sizes: Exploiting translational invariance and parity , B. Verstichel, H. van Aggelen, W. Poelmans, S. Wouters, D. Van Neck , Computational and Theoretical Chemistry , 1003 (2013), 12-21 , 2013 , IF: 1.139 , 104/134 [Q4]

2012

Variational two-particle density matrix calculation for the Hubbard model below half filling using spin-adapted lifting conditions , B. Verstichel, H. van Aggelen, W. Poelmans, D. Van Neck , Physical Review Letters , 108 (21), 213001 , 2012 , IF: 7.943 , 5/83 [Q1]

A2 publications

P1 publications

Invited talks

Talks

2011

Reduced density matrix optimization using the boundary point , W. Poelmans , FANTOM Study Week on Dark Matter , Münster, Germany , ma, 06/06/2011 tot vr, 10/06/2011

Posters

2013

Reduced Density Matrix Optimization for the Two-Dimensional Hubbard Model , B. Verstichel, W. Poelmans, S. Wouters, S. De Baerdemacker, D. Van Neck , MQM 2013 , Lugano, Switzerland , zo, 02/06/2013 tot vr, 07/06/2013
Variational Determination of the Two-Particle Reduced Density Matrix on the GPU , W. Poelmans, B. Verstichel, D. Van Neck, P. Bultinck , MQM 2013 , Lugano, Switzerland , zo, 02/06/2013 tot vr, 07/06/2013

2012

Three particles constraint as linear inequalities in v2DM optimization , W. Poelmans, B. Verstichel, D. Van Neck , DFTM2012 , Ghent University, Het Pand, Ghent, Belgium , zo, 01/04/2012 tot vr, 06/04/2012
Variational density study of the one-dimensional Hubbard model: the need for three-particle constraints , B. Verstichel, H. van Aggelen, W. Poelmans, D. Van Neck , DFTM2012 , Ghent University, Het Pand, Ghent, Belgium , zo, 01/04/2012 tot vr, 06/04/2012

Dissertations

(D2) , Varationele bepaling van de tweedeeltjesdichtheidsmatrix , W. Poelmans , Supervisor(s): Prof. Dr. Dimitri Van Neck, Prof. Dr. Michel Waroquier , 2009