Ghent University Academic Bibliography

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Your filters: cql: author="Vandenbrande, Steven*" or (type exact bookEditor and editor="Vandenbrande, Steven*")

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Modeling gas adsorption in flexible metal-organic frameworks via hybrid Monte Carlo/molecular dynamics schemes

Sven Rogge (UGent) , Ruben Goeminne (UGent) , Ruben Demuynck, Juan José Gutiérrez Sevillano (UGent) , Steven Vandenbrande (UGent) , Louis Vanduyfhuys (UGent) , Michel Waroquier (UGent) , Toon Verstraelen (UGent) and Veronique Van Speybroeck (UGent)

(2019) ADVANCED THEORY AND SIMULATIONS. 2(4).
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- PhD Thesis
Understanding noncovalent interactions in force fields through quantum mechanics : application to gas adsorption in metal-organic frameworks

Steven Vandenbrande (UGent)

(2019)
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Thermal engineering of metal–organic frameworks for adsorption applications : a molecular simulation perspective

Jelle Wieme (UGent) , Steven Vandenbrande (UGent) , Aran Lamaire (UGent) , Venkat Kapil, Louis Vanduyfhuys (UGent) and Veronique Van Speybroeck (UGent)

(2019) ACS APPLIED MATERIALS & INTERFACES. 11(42). p.38697-38707
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i-PI 2.0 : a universal force engine for advanced molecular simulations

Venkat Kapil, Mariana Rossi, Ondrej Marsalek, Riccardo Petraglia, Yair Litman, Thomas Spura, Bingqing Cheng, Alice Cuzzocrea, Robert H. Meißner, David M. Wilkins, et al.

(2019) COMPUTER PHYSICS COMMUNICATIONS. 236. p.214-223
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Extension of the QuickFF force field protocol for an improved accuracy of structural, vibrational, mechanical and thermal properties of metal-organic frameworks

Louis Vanduyfhuys (UGent) , Steven Vandenbrande (UGent) , Jelle Wieme (UGent) , Michel Waroquier (UGent) , Toon Verstraelen (UGent) and Veronique Van Speybroeck (UGent)

(2018) JOURNAL OF COMPUTATIONAL CHEMISTRY. 39(16). p.999-1011

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Academic Bibliography

Modeling gas adsorption in flexible metal-organic frameworks via hybrid Monte Carlo/molecular dynamics schemes

Understanding noncovalent interactions in force fields through quantum mechanics : application to gas adsorption in metal-organic frameworks

Thermal engineering of metal–organic frameworks for adsorption applications : a molecular simulation perspective

i-PI 2.0 : a universal force engine for advanced molecular simulations

Extension of the QuickFF force field protocol for an improved accuracy of structural, vibrational, mechanical and thermal properties of metal-organic frameworks

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