Dr. Brecht Verstichel

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A1 Publications

Published

2015

Variational optimization of the second order density matrix corresponding to a seniority-zero configuration interaction wave function , W. Poelmans, M. Van Raemdonck, B. Verstichel, S. De Baerdemacker, A. Torre, L. Lain, G. Massaccesi, D. Alcoba, P. Bultinck, D. Van Neck , Journal of Chemical Theory and Computation (JCTC) , 11 (9), 4064–4076 , 2015 , IF: 5.301 , 5/35 [Q1]

2014

Projector quantum Monte Carlo with matrix product states , S. Wouters, B. Verstichel, D. Van Neck, G. K.-L. Chan , Physical Review B , 90, 045104 , 2014 , IF: 3.736 , 14/67 [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 , European Physical Journal B , 87(3), 59 , 2014 , IF: 1.345 , 44/67 [Q3]

2013

The sharp-G N-representability condition , P.A. Johnson, P.W. Ayers, B. Verstichel, D. Van Neck, H. van Aggelen , Computational and Theoretical Chemistry , 1003 (2013), 32-36 , 2013 , IF: 1.368 , 96/136 [Q3]
Extended random phase approximation method for atomic excitation energies from correlated and variationally optimized second-order density matrices , H. van Aggelen, B. Verstichel, G. Acke, M. Degroote, P. Bultinck, P.W. Ayers, D. Van Neck , Computational and Theoretical Chemistry , 1003 (2013), 50-54 , 2013 , IF: 1.368 , 96/136 [Q4]
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]
Considerations on describing non-singlet spin states in variational second order density matrix methods , H. van Aggelen, B. Verstichel, P. Bultinck, D. Van Neck, P.W. Ayers , Journal of Chemical Physics , 136, 014110 , 2012 , IF: 3.164 , 8/34 [Q1]

2011

Variational density matrix optimization using semidefinite programming , B. Verstichel, H. van Aggelen, D. Van Neck, P.W. Ayers, P. Bultinck , Computer Physics Communications , 182 (9), 2025-2028 , 2011 , IF: 3.268 , 2/55 [Q1]
A primal-dual semidefinite programming algorithm tailored to the variational determination of the two-body density matrix , B. Verstichel, H. van Aggelen, D. Van Neck, P. Bultinck, S. De Baerdemacker , Computer Physics Communications , 182 (6), 1235-1244 , 2011 , IF: 3.268 , 2/55 [Q1]
Variational second order density matrix study of F3−: Importance of subspace constraints for size-consistency , H. van Aggelen, B. Verstichel, P. Bultinck, D. Van Neck, P.W. Ayers, D.L. Cooper , Journal of Chemical Physics , 134, 054115 , 2011 , IF: 3.333 , 7/32 [Q1]

2010

Subsystem constraints in variational second order density matrix optimization: Curing the dissociative behavior , B. Verstichel, H. van Aggelen, D. Van Neck, P.W. Ayers, P. Bultinck , Journal of Chemical Physics , 132, 114113 , 2010 , IF: 2.920 , 7/33 [Q1]
Chemical verification of variational second-order density matrix based potential energy surfaces for the N2 isoelectronic series , H. van Aggelen, B. Verstichel, P. Bultinck, D. Van Neck, P.W. Ayers, D.L. Cooper , Journal of Chemical Physics , 132, 114112 , 2010 , IF: 2.920 , 7/33 [Q1]

2009

Incorrect diatomic dissociation in variational reduced density matrix theory arises from the flawed description of fractionally charged atoms , H. van Aggelen, P. Bultinck, B. Verstichel, D. Van Neck, P.W. Ayers , Physical Chemistry Chemical Physics (PCCP) , 11 (27), 5558-5560 , 2009 , IF: 4.116
Variational determination of the second-order density matrix for the isoelectronic series of beryllium, neon, and silicon , B. Verstichel, H. van Aggelen, D. Van Neck, P.W. Ayers, P. Bultinck , Physical Review A , 80 (3), 032508 , 2009 , IF: 2.866

Other Publications

Dissertations

(D1) , Variational determination of the two-particle density matrix as a quantum many-body technique , B. Verstichel , Supervisor(s): Prof. Dr. Dimitri Van Neck, Prof. Dr. Patrick Bultinck , 30/03/2012

Keynote / Plenary / Invited talks

2011

Invited talk
Nonstandard N-representability constraints and their application to chemical and physical systems , D. Van Neck, B. Verstichel, H. van Aggelen, P. Bultinck, P.W. Ayers , ACS Fall Meeting, Symposium on Reduced Density Matrices in Quantum Chemistry and Physics , Denver, USA , Sun, 28/08/2011 to Thu, 01/09/2011

Talks

2014

Auxiliary Field Quantum Monte-Carlo using Tensor Network States , B. Verstichel , Collaboration on the Many Electron Problem Fall 2014 Meeting , New York, USA , Thu, 04/09/2014 to Fri, 05/09/2014

2012

Variational optimization of second order density matrices: the past, the present and the future , H. van Aggelen, B. Verstichel, P. Bultinck, D. Van Neck, P.W. Ayers , DFTM2012 , Ghent Univeristy, Het Pand, Ghent, Belgium , O10 , Sun, 01/04/2012 to Fri, 06/04/2012

2010

Variational determination of the second-order density matrix , B. Verstichel , Conference on Computational Physics 2010 (CCP2010) , Trondheim, Norway , Wed, 23/06/2010 to Sat, 26/06/2010

2009

Variational Reduced Density Matrix Theory: Successes and Failures , P.W. Ayers, D. Van Neck, P. Bultinck, H. van Aggelen, B. Verstichel , Seventh Canadian Computational Chemistry Conference (CCCC7) , Dalhousie, Canada , Mon, 20/07/2009 to Fri, 24/07/2009
Dissociation curves from variational second order density matrices: an Atoms in Molecules perspective , P. Bultinck, H. van Aggelen, B. Verstichel, D. Van Neck, P.W. Ayers , 92nd Canadian Chemistry Conference , Hamilton, Canada , Sat, 30/05/2009 to Fri, 05/06/2009

Posters

2015

Combining Projector Quantum Monte Carlo with Tensor Network methods , B. Verstichel , FOR1807 , Würzburg, Germany , Mon, 23/02/2015 to Thu, 26/02/2015

2014

Projector quantum Monte Carlo with matrix product states , B. Verstichel, S. Wouters, D. Van Neck, G. K.-L. Chan , Low-scaling and Unconventional Electronic Structure Techniques Conference , Telluride, CO, USA , Sun, 01/06/2014 to Thu, 05/06/2014

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
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

2012

Reduced density matrix optimization for strongly correlated systems: a study of the one-dimensional Hubbard model , B. Verstichel , Networking tensor networks: many-body systems and simulations , Benasque, Spain , Sun, 06/05/2012 to Sat, 19/05/2012
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
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

2011

2.5-index conditions in a variational density matrix study of the one-dimensional Hubbard model , B. Verstichel , RPMBT16 , San Carlos de Bariloche, Argentina , Mon, 28/11/2011 to Mon, 05/12/2011

2009

Chemical implications of variational second-order density matrix theory: study of diatomic molecules along the potential energy curve , H. van Aggelen, B. Verstichel, P.W. Ayers, P. Bultinck, D.L. Cooper, D. Van Neck , Workshop on Quantum Marginals and Density Matrices , Toronto, Canada , Mon, 27/07/2009 to Fri, 31/07/2009
Variational determination of the second-order density matrix , B. Verstichel , CSC2009 , Hamilton (Toronto), Canada , Sat, 30/05/2009 to Wed, 03/06/2009

Funding