Dr. ir. Marc Van Houteghem

A1 publications

2014

Critical analysis of the accuracy of models predicting or extracting liquid structure information , M. Van Houteghem, A. Ghysels, T. Verstraelen, W. Poelmans, M. Waroquier, V. Van Speybroeck , Journal of Physical Chemistry B , 118 (9), 2451–2470 , 2014 , IF: 3.302 , 44/139 [Q2]

2012

Analysis of the basis set superposition error in molecular dynamics of hydrogen-bonded liquids: application to methanol , M. Van Houteghem, T. Verstraelen, A. Ghysels, L. Vanduyfhuys, M. Waroquier, V. Van Speybroeck , Journal of Chemical Physics , 137 (10), 104506 , 2012 , IF: 3.164 , 8/34 [Q1]

2011

Atomic Velocity Projection Method: A New Analysis Method for Vibrational Spectra in Terms of Internal Coordinates for a Better Understanding of Zeolite Nanogrowth , M. Van Houteghem, T. Verstraelen, D. Van Neck, C. Kirschhock, J.A. Martens, M. Waroquier, V. Van Speybroeck , Journal of Chemical Theory and Computation (JCTC) , 7, 1045-1061 , 2011 , IF: 5.215 , 2/32 [Q1]
UV-Raman and 29Si NMR Spectroscopy Investigation of the Nature of Silicate Oligomers Formed by Acid Catalyzed Hydrolysis and Polycondensation of Tetramethylorthosilicate , A. Depla, E. Verheyen, A. Verfeyken, M. Van Houteghem, K. Houthoofd, V. Van Speybroeck, M. Waroquier, C. Kirschhock, J.A. Martens , Journal of Physical Chemistry C , 115(22), 11077-11088 , 2011 , IF: 4.805 , 23/231 [Q1]

2008

MD-TRACKS: A Productive Solution for the Advanced Analysis of Molecular Dynamics and Monte Carlo simulations , T. Verstraelen, M. Van Houteghem, V. Van Speybroeck, M. Waroquier , Journal of Chemical Information and Modeling (JCIM) , 48 (12), 2414–2424 , 2008 , IF: 3.643 , [Q1]

A2 publications

B publications

P1 publications

Keynote / Plenary / Invited talks

2014

Invited talk

Critical analysis of liquid structure models , M. Van Houteghem, A. Ghysels, T. Verstraelen, W. Poelmans, M. Waroquier, V. Van Speybroeck , WATOC 2014 , Santiago de Chile, Chile , Sun, 05/10/2014 to Fri, 10/10/2014

Talks

Posters

2011

Introducing BSSE as an extra energy term in molecular dynamics , M. Van Houteghem, A. Ghysels, T. Verstraelen, V. Van Speybroeck, M. Waroquier, C. Kirschhock, J.A. Martens , IAP Annual Meeting , Leuven, Belgium , Mon, 21/11/2011 to Tue, 22/11/2011

2010

Insight into zeolite nanogrowth through the analysis of vibrational spectra in terms of internal coordinates , M. Van Houteghem, T. Verstraelen, D. Van Neck, C. Kirschhock, J.A. Martens, M. Waroquier , FirW PhD symposium 2010 , Ghent Univeristy, Faculty of Engineering, Ghent, Belgium , Wed, 01/12/2010

2009

Deconvolution of spectra derived from molecular dynamics , M. Van Houteghem , IAP-PAI P6/27 Annual Meeting , Leuven, Belgium , Mon, 14/12/2009 to Tue, 15/12/2009
A study of liquids on an atomic scale: molecular dynamics on organic solvents , M. Van Houteghem , FirW PhD symposium 2009 , Ghent Univeristy, Faculty of Engineering, Ghent, Belgium , Wed, 09/12/2009

2008

A study of liquids on an atomic scale: molecular dynamics on organic solvents , M. Van Houteghem , Doctoral Symposium , Ghent Univeristy, Faculty of Engineering, Ghent, Belgium , Wed, 03/12/2008

Dissertations

(D1) , Molecular dynamics simulations as a tool for understanding zeolite nanogrowth and liquid structure , M. Van Houteghem , Supervisor(s): Prof. Dr. ir. Veronique Van Speybroeck, Prof. Dr. Michel Waroquier , 16/12/2013
(D2) , A Study of Liquids on an Atomic Scale: Molecular Dynamics on Organic Solvents / Vloeistoffen bekeken op Atomaire Schaal: Moleculaire Dynamica op Organische Solventen , M. Van Houteghem , Supervisor(s): Prof. Dr. ir. Veronique Van Speybroeck, Prof. Dr. Michel Waroquier , 2008