D. Van Neck

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

Poster

Conference / event / venue

FirW PhD symposium 2010

Ghent Univeristy, Faculty of Engineering, Ghent, Belgium

Wednesday, 1 December, 2010

Microscopic Study of exchange-correlation functionals in DFT by using Green's function perturbation techniques

K. Peirs, D. Van Neck, M. Waroquier

Talk

Conference / event / venue

223rd ACS National Meeting

Orlando, Florida, US

Sunday, 7 April, 2002 to Thursday, 11 April, 2002

Kinetics of 1-hexene isomerization with methane sulphonic acid from first principles

V. Van Speybroeck, D. Van Neck, M. Waroquier

Invited talk

Conference / event / venue

Eurokin meeting

Terneuzen, The Netherlands

Monday, 25 November, 2002

Nuclear matter, neutron matter, symmetry energy: Green's function calculation versus hole-line expansions (Invited)

D. Van Neck

Talk

Conference / event / venue

ECT-meeting 'Short- and long-range contributions to nuclear binding and saturation'

Trento, Italy

Monday, 2 June, 2003 to Saturday, 7 June, 2003

Density functional theory for quasiparticle properties

D. Van Neck

Talk

Conference / event / venue

25th International Workshop on Nuclear Theory

Rila Mountain (Govedartze), Bulgaria

Monday, 26 June, 2006 to Saturday, 1 July, 2006

New developments in the parameterization of force fields based on ab initio training data

T. Verstraelen, D. Van Neck, P.W. Ayers, V. Van Speybroeck, M. Waroquier

http://www.cecam.org/workshop-4-55.html?presentation_id=1290

Talk

Conference / event / venue

CECAM Workshop: Computational aspects of building blocks, nucleation, and synthesis of porous materials

Lyon, France

Monday, 28 August, 2006 to Thursday, 31 August, 2006

New methods in force-field development

T. Verstraelen, D. Van Neck, P.W. Ayers, V. Van Speybroeck, M. Waroquier

Talk

Conference / event / venue

VIIth Netherlands' Catalysis and Chemistry Conference (NCCC VII)

Noordwijkerhout, The Netherlands

Monday, 5 March, 2007 to Wednesday, 7 March, 2007

New force-field models for biporous zeolites with guest molecules

T. Verstraelen, P.W. Ayers, D. Van Neck, V. Van Speybroeck, M. Waroquier

Talk

Conference / event / venue

Advanced micro- and mesoporous materials

Varna, Bulgaria

Thursday, 6 September, 2007 to Sunday, 9 September, 2007

Dissociation curves from variational second order density matrices: an Atoms in Molecules perspective

P. Bultinck, H. van Aggelen, B. Verstichel, D. Van Neck, P.W. Ayers

Talk

Conference / event / venue

92nd Canadian Chemistry Conference

Hamilton, Canada

Saturday, 30 May, 2009 to Friday, 5 June, 2009

Variational Reduced Density Matrix Theory: Successes and Failures

P.W. Ayers, D. Van Neck, P. Bultinck, H. van Aggelen, B. Verstichel

Talk

Conference / event / venue

Seventh Canadian Computational Chemistry Conference (CCCC7)

Dalhousie, Canada

Monday, 20 July, 2009 to Friday, 24 July, 2009

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