How to Ensure the Accuracy of Polarizable Force Fields? T. Verstraelen, S. Vandenbrande, P.W. Ayers ISBN/ISSN:Invited talkConference / event / venue Visit ALGC, Free University of Brussels (VUB)Brussels, BelgiumFriday, 21 November, 2014 Read more about How to Ensure the Accuracy of Polarizable Force Fields?
Model Wavefunction Forms to Describe Strong Correlation in Quantum Chemistry P.A. Johnson Sun, 28/09/2014McMaster University, Hamilton, Ontario, Canadahttp://hdl.handle.net/1854/LU-5752763Supervisors Prof. Dr. Paul W. Ayers, Prof. Dr. Dimitri Van Neck, Prof. Dr. Patrick Bultinck Read more about Model Wavefunction Forms to Describe Strong Correlation in Quantum Chemistry
How to Ensure the Accuracy of Polarizable Force Fields? T. Verstraelen, S. Vandenbrande, P.W. Ayers ISBN/ISSN:TalkConference / event / venue Workshop on Force Fields: From Atoms to MaterialsJülich, GermanyMonday, 3 November, 2014 to Wednesday, 5 November, 2014 Read more about How to Ensure the Accuracy of Polarizable Force Fields?
The role of Kohn-Sham response in polarizable force fields T. Verstraelen, P.W. Ayers, V. Van Speybroeck, M. Waroquier TalkConference / event / venue Current Status of Conceptual Density Functional TheoryGhent, BelgiumFriday, 13 April, 2012 Read more about The role of Kohn-Sham response in polarizable force fields
Bond Dissociation & Electronegativity Equalization T. Verstraelen, P.W. Ayers, V. Van Speybroeck, M. Waroquier http://www.quantum.ugent.be/mediawiki/index.php?title=Toon_VerstraelenTalkConference / event / venue CQCG - Discussion day on exchange-correlation and chemical bondingGhent, BelgiumMonday, 8 October, 2012 Read more about Bond Dissociation & Electronegativity Equalization
Longitudinal static optical properties of hydrogen chains: finite field extrapolations of matrix product state calculations S. Wouters, P. A. Limacher, D. Van Neck, P.W. Ayers PosterConference / event / venue Networking Tensor Networks: Many-Body Systems and SimulationsBenasque, SpainMonday, 7 May, 2012 to Friday, 18 May, 2012 Read more about Longitudinal static optical properties of hydrogen chains: finite field extrapolations of matrix product state calculations