V. Van Speybroeck

An extended Pareto approach to computational materials design: tungsten alloys for nuclear fusion reactors

K. Lejaeghere, S. Cottenier, V. Van Speybroeck

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CECAM/Psi-k Research Conference: Frontiers of first-principles simulations: materials design and discovery

Berlin, Germany

Sunday, 1 February, 2015 to Thursday, 5 February, 2015

Engineering light-absorption in functionalized UiO-66 frameworks

K. Hendrickx, K. Hemelsoet, D.E.P. Vanpoucke, P. Van der Voort, V. Van Speybroeck

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N3C

Noordwijkerhout, The Netherlands

Monday, 2 March, 2015 to Wednesday, 4 March, 2015

Mobility of the active centre in Cu-SSZ-13 as catalyst material in the Selective Catalytic Reduction of NOx by ammonia

A. Van Yperen-De Deyne, I. Lezcano-Gonzalez, B.M. Weckhuysen, A.M. Beale, M. Waroquier, V. Van Speybroeck, K. Hemelsoet

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Dutch Zeolite Association 2014, Ghent, Belgium

Ghent, Belgium

Tuesday, 7 October, 2014

The vibrational fingerprint of the electronic excitation energy of molecular systems via Molecular Dynamics

A. Van Yperen-De Deyne, T. De Meyer, A. Ghysels, E. Pauwels, M. Waroquier, V. Van Speybroeck, K. Hemelsoet

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IAP, joint WP1/PL1 meeting

Mons, Belgium

Thursday, 5 February, 2015

Activity and selectivity for the aldol condensation on UiO-66 versus UiO-66-NH2

J. Hajek, M. Vandichel, D. De Vos, M. Waroquier, V. Van Speybroeck

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Winter School for Theoretical Chemistry and Spectroscopy

Han-sur-Lesse, Belgium

Monday, 8 December, 2014 to Friday, 12 December, 2014

Modeling aldol condensations in UiO-66 type materials

J. Hajek, M. Vandichel, F. Vermoortele, D. De Vos, M. Waroquier, V. Van Speybroeck

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MolSim2014

Amsterdam, The Netherlands

Monday, 6 January, 2014 to Friday, 17 January, 2014

Intentional creation of defects within UiO-66 metal-organic frameworks: a theoretical rationalization

M. Vandichel, J. Hajek, D. De Vos, M. Waroquier, V. Van Speybroeck

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Hybrid Materials 2015

Sitges, Spain

Monday, 9 March, 2015 to Friday, 13 March, 2015

On the comparison of different barostat implementations for the prediction of the breathing behavior in MIL-53 frameworks

S.M.J. Rogge, L. Vanduyfhuys, T. Verstraelen, G. Maurin, V. Van Speybroeck

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MolSim 2015: Understanding Molecular Simulations

Amsterdam, The Netherlands

Monday, 5 January, 2015 to Friday, 16 January, 2015

Ab initio simulation of the IR spectrum of COK-18, a chain-like POSiSil

S. Vandenbrande, P. Verlooy, S. Smet, L. Joos, L. Vanduyfhuys, T. Verstraelen, J.A. Martens, V. Van Speybroeck

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Meeting of the Dutch Zeolite Association: on Hybrids and zeolites

Ghent, Belgium

Tuesday, 7 October, 2014

COK-18, A chain-like POSiSil

S. Smet, S. Vandenbrande, P. Verlooy, L. Joos, L. Vanduyfhuys, T. Verstraelen, V. Van Speybroeck, J.A. Martens

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Annual IAP - WP2 Meeting (P7/05)

Gent, Belgium

Wednesday, 5 February, 2014

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