P.W. Ayers

Non-covalent force field expressed in terms of spherical density functions

T. Verstraelen, S. Vandenbrande, F. Heidar-Zadeh, L. Vanduyfhuys, M. Waroquier, V. Van Speybroeck, P.W. Ayers

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255th National Meeting and Exposition of the American-Chemical-Society (ACS) - Nexus of Food, Energy, and Water a

New Orleans, LA, USA

Sunday, 18 March, 2018 to Thursday, 22 March, 2018

Variational information-theoretic atoms-in-molecules

F. Heidar-Zadeh

Fri, 07/07/2017

http://hdl.handle.net/1854/LU-8531565

Supervisors

Prof. Dr. Paul W. Ayers, Prof. Dr. Patrick Bultinck, Prof. Dr. ir. Toon Verstraelen

Variational Hirshfeld Partitioning & Weak Interactions

T. Verstraelen, S. Vandenbrande, F. Heidar-Zadeh, L. Vanduyfhuys, M. Waroquier, V. Van Speybroeck, P.W. Ayers

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visit Fredy Manbey

Bristol, UK

Wednesday, 16 May, 2018 to Thursday, 17 May, 2018

Intermolecular interactions with coarse-grained electron densities

T. Verstraelen, S. Vandenbrande, F. Heidar-Zadeh, L. Vanduyfhuys, M. Waroquier, V. Van Speybroeck, P.W. Ayers

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Institute of Physical Chemistry seminar series, Department of Chemistry, University of Basel

Basel, Switzerland

Tuesday, 3 April, 2018 to Thursday, 5 April, 2018

From electron densities to inter-molecular force felds

T. Verstraelen, S. Vandenbrande, F. Heidar-Zadeh, L. Vanduyfhuys, M. Waroquier, V. Van Speybroeck, P.W. Ayers

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ACS National Meeting

New Orleans, US

Sunday, 18 March, 2018 to Thursday, 22 March, 2018

Non-covalent force feld expressed in terms of spherical density functons

T. Verstraelen, S. Vandenbrande, F. Heidar-Zadeh, L. Vanduyfhuys, M. Waroquier, V. Van Speybroeck, P.W. Ayers

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Visit Fritz-Haber-Insttut der Max-Planck-Gesellschaf, Theory Group

Berlin, Germany

Wednesday, 13 December, 2017 to Friday, 15 December, 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

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Poster

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International Summer School in Electronic Structure Theory: Electron Correlation in Physics and Chemistry

Aussois, France

Sunday, 18 June, 2017 to Saturday, 1 July, 2017

Making 2-electron response reduced density matrices N-representable

C. Lanssens, P.W. Ayers, P. Bultinck, D. Van Neck

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Summer School Modern Wavefunction Methods in Electronic Structure Theory

Gelsenkirchen, Germany

Monday, 3 October, 2016 to Saturday, 8 October, 2016

Modeling Charge-Transfer Interactions With The ACKS2 Model

T. Verstraelen, S. Vandenbrande, J.J. Gutiérrez-Sevillano, P.W. Ayers

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Density- and response density-based models for Intermolecular Interactions in Molecular Assemblies and in Solids

Nancy, France

Monday, 20 June, 2016 to Thursday, 23 June, 2016

When two is better than one: the seniority scheme as a new tool to build wave functions

S. De Baerdemacker, P. Claeys, W. Poelmans, D. Van Neck, P. Bultinck, M. Van Raemdonck, P.W. Ayers, P.A. Limacher, P.A. Johnson, K. Boguslawski, P. Tecmer

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QCB12

Leuven, Belgium

Tuesday, 16 February, 2016

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