ACKS2: Atom-Condensed Kohn-Sham nd DFT approximated to 2nd order T. Verstraelen, P.W. Ayers, V. Van Speybroeck, M. Waroquier ISBN/ISSN:Invited talkConference / event / venue Visit Konstantin SmirnovLille, FranceFriday, 18 January, 2013 Read more about ACKS2: Atom-Condensed Kohn-Sham nd DFT approximated to 2nd order
ACKS2: Atom-Condensed Kohn-Sham nd DFT approximated to 2nd order T. Verstraelen, P.W. Ayers, V. Van Speybroeck, M. Waroquier ISBN/ISSN:Invited talkConference / event / venue Visit Martin MüserJülich, GermanyMonday, 29 October, 2012 to Tuesday, 30 October, 2012 Read more about ACKS2: Atom-Condensed Kohn-Sham nd DFT approximated to 2nd order
Molecular dynamics simulations as a tool for understanding zeolite nanogrowth and liquid structure M. Van Houteghem Mon, 16/12/2013Faculty of Engineering and Architecture, Jozef Plateaustraat, Ghenthttp://hdl.handle.net/1854/LU-4228273Supervisors Prof. Dr. ir. Veronique Van Speybroeck, Prof. Dr. Michel Waroquier Read more about Molecular dynamics simulations as a tool for understanding zeolite nanogrowth and liquid structure
A force field investigation of the influence of the metal on the breathing behaviour of MIL-53 type materials L. Vanduyfhuys, T. Verstraelen, D.E.P. Vanpoucke, M. Waroquier, V. Van Speybroeck -ISBN/ISSN: -PosterConference / event / venue Annual IAP MeetingGhent, BelgiumWednesday, 18 September, 2013 Read more about A force field investigation of the influence of the metal on the breathing behaviour of MIL-53 type materials
Functionalized Metal-Organic Frameworks: MIL-47(V)+X : a computational investigation of its properties D.E.P. Vanpoucke, S. Biswas, T. Verstraelen, M. Vandichel, S. Couck, K. Leus, Y-Y Liu, M. Waroquier, V. Van Speybroeck, J.F.M. Denayer, P. Van der Voort -ISBN/ISSN: -PosterConference / event / venue Annual IAP MeetingGhent, BelgiumWednesday, 18 September, 2013 Read more about Functionalized Metal-Organic Frameworks: MIL-47(V)+X : a computational investigation of its properties
ACKS2: Atom-condensed Kohn-Sham DFT approximated to 2nd order T. Verstraelen, P.W. Ayers, V. Van Speybroeck, M. Waroquier -ISBN/ISSN: -PosterConference / event / venue Annual IAP MeetingGhent, BelgiumWednesday, 18 September, 2013 Read more about ACKS2: Atom-condensed Kohn-Sham DFT approximated to 2nd order
QuickFF: a generally applicable methodology to quickly derive accurate force fields from ab initio input L. Vanduyfhuys, T. Verstraelen, S. Vandenbrande, M. Waroquier, V. Van Speybroeck -ISBN/ISSN: -PosterConference / event / venue Annual IAP MeetingGhent, BelgiumWednesday, 18 September, 2013 Read more about QuickFF: a generally applicable methodology to quickly derive accurate force fields from ab initio input
A force field investigation of the influence of the metal on the breathing behaviour of MIL-53 type materials L. Vanduyfhuys, T. Verstraelen, D.E.P. Vanpoucke, M. Waroquier, V. Van Speybroeck ISBN/ISSN:TalkConference / event / venue MACADEMIA Annual MeetingBrussels, BelgiumMonday, 10 June, 2013 to Tuesday, 11 June, 2013 Read more about A force field investigation of the influence of the metal on the breathing behaviour of MIL-53 type materials
Afleiding en implementatie van bewegingsvergelijkingen voor isobare en isostress Moleculaire Dynamica simulaties Read more about Afleiding en implementatie van bewegingsvergelijkingen voor isobare en isostress Moleculaire Dynamica simulaties