Researcher
Dimitri Van Neck
- Keywords:quantum many-body physics
- Disciplines:Quantum chemistry, Quantum physics not elsewhere classified
Affiliations
- Department of Physics and astronomy (Department)
Member
From16 Jan 2020 → 30 Apr 2023 - Department of Physics and astronomy (Department)
Responsible
From16 Jan 2020 → 30 Apr 2023 - Department of Physics and astronomy (Department)
Member
From1 Jan 1993 → Today
Projects
1 - 10 of 19
- Control of external potentials in a Bose-Einstein CondensateFrom1 May 2020 → TodayFunding: FWO Medium Size Research Infrastructure
- Theoretical Extensions and Chemical Characterization of Maximum Probability Domains.From1 Oct 2019 → TodayFunding: BOF - projects
- Matrix product states in quantum many-body physics: towards higher accuracy by uncontracted dynamical correlation methodsFrom1 Oct 2016 → 30 Sep 2020Funding: FWO fellowships
- A complete treatment of electron correlation in large strongly correlated systems, based on a fast single-step algorithm for the self-consistent determination of the active space with the density matrix renormalization group.From1 Oct 2015 → 31 Oct 2017Funding: FWO fellowships
- Pairing correlations in quantum systems: algebraic and variational approachesFrom1 Oct 2014 → 30 Sep 2018Funding: FWO fellowships, BOF - Other initiatives
- Geminal-based description of strong electron correlations in quantum chemistryFrom1 Jan 2014 → 31 Dec 2019Funding: FWO research project (including WEAVE projects)
- Variational determination of the density matrix for strongly correlated systemsFrom1 Oct 2012 → 30 Sep 2015Funding: BOF - Other initiatives, FWO fellowships
- Variational renormalization group methods applied to molecular systemsFrom1 Oct 2010 → 30 Sep 2014Funding: FWO fellowships, BOF - Other initiatives
- Quantum chemical aspects in electronic structure determination using semidefinite optimization of the the two-particle density matrixFrom1 Jan 2010 → 31 Dec 2015Funding: FWO research project (including WEAVE projects)
- Variationally optimized density matrices in relation to chemical bondingFrom1 Oct 2009 → 30 Sep 2013Funding: BOF - Other initiatives, FWO fellowships
Publications
11 - 20 of 117
- Normal mode analysis of macromolecular systems with the mobile block Hessian method(2015)Volume: 1642
Authors: An Ghysels, Veronique Van Speybroeck, Dimitri Van Neck, BR Brooks, Michel Waroquier
Pages: 559 - 562 - Polynomial scaling approximations and dynamic correlation corrections to doubly occupied configuration interaction wave functions(2015)
Authors: Mario Van Raemdonck, Diego R Alcoba, Ward Poelmans, Stijn De Baerdemacker, Alicia Torre, Luis Lain, Gustavo E Massaccesi, Dimitri Van Neck
- Variational optimization of the second-order density matrix corresponding to a seniority-zero configuration interaction wave function(2015)
Authors: Ward Poelmans, Mario Van Raemdonck, Brecht Verstichel, Stijn De Baerdemacker, Alicia Torre, Luis Lain, Gustavo E Massaccesi, Diego R Alcoba, Dimitri Van Neck
Pages: 4064 - 4076 - A mechanistic investigation of the manganese-salen epoxidation(2014)
Authors: Thomas Bogaerts, Andy Van Yperen-De Deyne, Sebastian Wouters, Dimitri Van Neck, Pascal Van Der Voort
Number of pages: 1 - CheMPS2: a free open-source spin-adapted implementation of the density matrix renormalization group for ab initio quantum chemistry(2014)
Authors: Sebastian Wouters, Ward Poelmans, Paul W Ayers, Dimitri Van Neck
Pages: 1501 - 1514 - Interaction of minor alloying elements of high-Cr ferritic steels with lattice defects: an ab initio study(2014)
Authors: Alexander Bakaev, D Terentyev, Giovanni Bonny, TPC Klaver, P Olsson, Dimitri Van Neck
Pages: 237 - 246 - The density matrix renormalization group for ab initio quantum chemistry(2014)
Authors: Sebastian Wouters, Dimitri Van Neck
- Dislocation mechanism of deuterium retention in tungsten under plasma implantation(2014)
Authors: VI Dubinko, P Grigorev, Alexander Bakaev, D Terentyev, Guido Van Oost, F Gao, Dimitri Van Neck, EE Zhurkin
- Synergetic effects of Mn and Si in the interaction with point defects in bcc Fe(2014)
Authors: Alexander Bakaev, A Terentyev, X He, Dimitri Van Neck
Pages: 5 - 9 - Assessing the quality of new quantum chemical methods by comparison with Full CI exchange-correlation holes(2014)
Authors: Guillaume Acke, Helen van Aggelen, Paul W Ayers, Dimitri Van Neck, Carlos Cardenas
Pages: 295 - 295