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A Breathing Zirconium Metal-Organic Framework with Reversible Loss of Crystallinity by Correlated Nanodomain Formation.Thermodynamic Insight in the High-Pressure Behavior of UiO-66: Effect of Linker Defects and Linker Expansion.QuickFF: A program for a quick and easy derivation of force fields for metal-organic frameworks from ab initio input.Efficient Construction of Free Energy Profiles of Breathing Metal-Organic Frameworks Using Advanced Molecular Dynamics Simulations.Extension of the QuickFF force field protocol for an improved accuracy of structural, vibrational, mechanical and thermal properties of metal-organic frameworks.Thermodynamic insight into stimuli-responsive behaviour of soft porous crystals.Elucidating the Vibrational Fingerprint of the Flexible Metal-Organic Framework MIL-53(Al) Using a Combined Experimental/Computational Approach.A Comparison of Barostats for the Mechanical Characterization of Metal-Organic Frameworks.Ab Initio Parametrized Force Field for the Flexible Metal-Organic Framework MIL-53(Al).Mechanical energy storage performance of an aluminum fumarate metal-organic framework.On the intrinsic dynamic nature of the rigid UiO-66 metal-organic framework.Protocol for Identifying Accurate Collective Variables in Enhanced Molecular Dynamics Simulations for the Description of Structural Transformations in Flexible Metal-Organic FrameworksOn the Thermodynamics of Framework Breathing: A Free Energy Model for Gas Adsorption in MIL-53Exploring the Flexibility of MIL-47(V)-Type Materials Using Force Field Molecular Dynamics Simulations.Metal-organic frameworks as potential shock absorbers: the case of the highly flexible MIL-53(Al)
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description
researcher
@en
wetenschapper
@nl
հետազոտող
@hy
name
Louis Vanduyfhuys
@ast
Louis Vanduyfhuys
@en
Louis Vanduyfhuys
@es
Louis Vanduyfhuys
@nl
type
label
Louis Vanduyfhuys
@ast
Louis Vanduyfhuys
@en
Louis Vanduyfhuys
@es
Louis Vanduyfhuys
@nl
prefLabel
Louis Vanduyfhuys
@ast
Louis Vanduyfhuys
@en
Louis Vanduyfhuys
@es
Louis Vanduyfhuys
@nl
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0000-0001-6747-3388