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: 3.377, 39/136 [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: 2.407, 5/55 [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

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: 1.368, 96/136 [Q3]

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

2014

Critical analysis of liquid structure models, M. Van Houteghem, A. Ghysels, T. Verstraelen, W. Poelmans, M. Waroquier, V. Van Speybroeck, 6 th FEZA Conference 2014, Santiago de Chile, Chile, Sun, 05/10/2014 to Fri, 10/10/2014

Talks

2011

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

Posters

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, Sun, 02/06/2013 to Fri, 07/06/2013
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, Sun, 02/06/2013 to Fri, 07/06/2013

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, Sun, 01/04/2012 to Fri, 06/04/2012
Three particles constraint as linear inequalities in v2DM optimization, W. Poelmans, B. Verstichel, D. Van Neck, DFTM2012, Ghent University, Het Pand, Ghent, Belgium, Sun, 01/04/2012 to Fri, 06/04/2012

Dissertations

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