Klaas Gunst

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A1 Publications

Published

2019

Three-Legged Tree Tensor Networks with SU(2) and Molecular Point Group Symmetry , K. Gunst, F. Verstraete, D. Van Neck , Journal of Chemical Theory and Computation (JCTC) , 15, 2996-3007 , 2019 , IF: 5.399 , 5/37 [Q1]

2018

T3NS: Three-Legged Tree Tensor Network States , K. Gunst, F. Verstraete, S. Wouters, Ö. Legeza, D. Van Neck , Journal of Chemical Theory and Computation , 14 (4), pp 2026–2033 , 2018 , IF: 5.245 , 4/35 [Q1]
Method for making 2-electron response reduced density matrices approximately N-representable , C. Lanssens, Paul W. Ayers, D. Van Neck, S. De Baerdemacker, K. Gunst, P. Bultinck , Journal of Chemical Physics , 148, 8, 084104 , 2018 , IF: 2.965 , 10/35[Q2]

2017

Block product density matrix embedding theory for strongly correlated spin systems , K. Gunst, S. Wouters, S. De Baerdemacker, D. Van Neck , Physical Review B , 95, 195127 , 2017 , IF: 3.836 , 18/67 [Q2]

Other Publications

Dissertations

(D1) , Tree tensor networks in quantum chemistry , K. Gunst , Supervisor(s): D. Van Neck, F. Verstraete , 28/09/2020
(D2) , Study of strongly correlated spin systems using density matrix embedding theory , K. Gunst , Supervisor(s): Prof. Dr. Dimitri Van Neck , 2016

Keynote / Plenary / Invited talks

Talks

Posters

2018

Tree tensor networks in ab initio quantum chemistry , K. Gunst, F. Verstraete, S. Wouters, Ö. Legeza, D. Van Neck , Numerical Methods in Strongly Correlated Quantum Systems , Marburg, Germany , Mon, 19/02/2018 to Fri, 23/02/2018

2017

Making 2-electron response reduced density matrices N-representable , C. Lanssens, P.W. Ayers, D. Van Neck, S. De Baerdemacker, K. Gunst, P. Bultinck , International Summer School in Electronic Structure Theory: Electron Correlation in Physics and Chemistry , Aussois, France , Sun, 18/06/2017 to Sat, 01/07/2017

2016

Study of strongly correlated spin systems using cluster density matrix embedding theory , K. Gunst , International School on Tensor Product State Simulations of Strongly Correlated Systems , Dresden, Germany , Tue, 01/11/2016 to Sat, 05/11/2016

Funding