Molecular Modeling: From Theory to Application T. Verstraelen TalkConference / event / venue FirW PhD Symposium 2008Ghent, BelgiumWednesday, 3 December, 2008 Read more about Molecular Modeling: From Theory to Application
Insights on the adsorption behavior of aromatics in MIL-47 and MIL-53 from a theoretical perspective M. Vandichel, J. Van der Mynsbrugge, T. Verstraelen, M. Maes, L. Alaerts, D. De Vos, M. Waroquier TalkConference / event / venue The 11th Netherlands Catalysis and Chemistry Conference (NCCC XI)Noordwijkerhout, The NetherlandsMonday, 1 March, 2010 to Wednesday, 3 March, 2010 Read more about Insights on the adsorption behavior of aromatics in MIL-47 and MIL-53 from a theoretical perspective
Development of Polarizable Force Fields T. Verstraelen Invited talkConference / event / venue Visit SaarbrueckenSaarbruecken, GermanyTuesday, 6 April, 2010 Read more about Development of Polarizable Force Fields
The Electronegativity Equalization Method and the Split Charge Equilibration Applied to Organic Systems: Parameterization, Validation and Comparison T. Verstraelen http://www.cecam.org/workshop-4-382.html?presentation_id=4196TalkConference / event / venue Advances in the Implementation of Polarizable Force Fields for Molecular Simulations, CECAM-HQ-EPFLLausanne, SwitzerlandMonday, 7 June, 2010 to Wednesday, 9 June, 2010 Read more about The Electronegativity Equalization Method and the Split Charge Equilibration Applied to Organic Systems: Parameterization, Validation and Comparison
The Development of Transferable Charge Equilibration Models T. Verstraelen TalkConference / event / venue Many-Body Interactions: From Quantum Mechanics to Force FieldsTelluride Science Research Center, Telluride, Colorado, USMonday, 14 June, 2010 to Friday, 18 June, 2010 Read more about The Development of Transferable Charge Equilibration Models
Charge Equilibration in Polarizable Force Fields T. Verstraelen Invited talkConference / event / venue Visit Université P. et M. CurieParis, FranceMonday, 18 October, 2010 to Friday, 22 October, 2010 Read more about Charge Equilibration in Polarizable Force Fields
Toon Verstraelen Force-field model developmentAtoms-in-molecules schemesPolarizable force fieldsOther topics of interestSoftware developmentSee CMM Software for more detailsActive research collaborationsProf. Paul Ayers, McMaster University, Ontario, Canada.Prof. Christine. Kirschhock and Prof. Johan Martens, COK, KULeuven, Belgium.Prof. Frank De Proft and Prof. Paul Geerlings, ALGC, VUB, Brussels, Belgium.Prof. R. van Santen, Molecular Heterogeneous Catalysis, Chemical Engineering and Chemistry, Eindhoven University of Technology, The Netherlands.Dr. Konstantin Smirnov, LASIR, Université de Lille 1, France.Prof. Adri van Duin, Department of Mechanical and Nuclear Engineering, Pennsylvania State University, US.Prof. P. Bultinck, Gent Quantum Chemistry Group, Ghent University, Belgium. Read more about Toon Verstraelen
Faster Potential Energy Surfaces: The 'art' of Making Force Fields T. Verstraelen TalkConference / event / venue IPAM CCSWS4: Physical Frameworks for Sampling Chemical Compound SpaceLos Angeles, CA, USSunday, 15 May, 2011 to Friday, 20 May, 2011 Read more about Faster Potential Energy Surfaces: The 'art' of Making Force Fields
Faster Potential Energy Surfaces: The 'art' of Making Force Fields T. Verstraelen Invited talkIntel corp., Santa Clara, CA, USTuesday, 14 June, 2011 Read more about Faster Potential Energy Surfaces: The 'art' of Making Force Fields
Molecular Modeling of the Synthesis of Zeolites and Related Nanoporous Materials T. Verstraelen Thu, 28/05/2009Faculty of Engineering and Architecture, Jozef Plateaustraat, Ghenthttp://biblio.ugent.be/record/677098Supervisors Prof. Dr. ir. Veronique Van Speybroeck, Prof. Dr. Michel Waroquier Read more about Molecular Modeling of the Synthesis of Zeolites and Related Nanoporous Materials