Academic Bibliography

Search 200 years of publications by Ghent University researchers.

ir. Sander Vandenhaute

Faculty of Engineering and Architecture > Department of Applied physics

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- Journal Article
- A1
- open access
The effect of the A-site cation on the phase transition temperature of metal halide perovskites

Tom Braeckevelt (UGent) , Sander Vandenhaute (UGent) , Sven Rogge (UGent) , Johan Hofkens and Veronique Van Speybroeck (UGent)

(2026) JOURNAL OF MATERIALS CHEMISTRY A.
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- Journal Article
- A1
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A novel NPT thermodynamic integration scheme to derive rigorous Gibbs free energies for crystalline solids

Karel De Witte (UGent) , Tom Braeckevelt (UGent) , Massimo Bocus (UGent) , Sander Vandenhaute (UGent) and Veronique Van Speybroeck (UGent)

(2026) JOURNAL OF CHEMICAL THEORY AND COMPUTATION. 22(12). p.5979-5990
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- PhD Thesis
- open access
Accelerating molecular simulation using machine learning : from wave functions to thermodynamics

Sander Vandenhaute (UGent)

(2025)
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- Journal Article
- A1
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Cluster-based machine learning potentials to describe disordered metal-organic frameworks up to the mesoscale

Pieter Dobbelaere (UGent) , Sander Vandenhaute (UGent) and Veronique Van Speybroeck (UGent)

(2025) CHEMISTRY OF MATERIALS. 37(15). p.5696-5709
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- Journal Article
- A1
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The operando nature of isobutene adsorbed in Zeolite H‐SSZ‐13 unraveled by machine learning potentials beyond DFT accuracy

Massimo Bocus (UGent) , Sander Vandenhaute (UGent) and Veronique Van Speybroeck (UGent)

(2025) ANGEWANDTE CHEMIE-INTERNATIONAL EDITION. 64(1).
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- Journal Article
- A1
- open access
Water motifs in zirconium metal-organic frameworks induced by nanoconfinement and hydrophilic adsorption sites

Aran Lamaire (UGent) , Jelle Wieme, Sander Vandenhaute (UGent) , Ruben Goeminne, Sven Rogge (UGent) and Veronique Van Speybroeck (UGent)

(2024) NATURE COMMUNICATIONS. 15(1).
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- Conference Paper
- C3
Nuclear quantum effects in proton transfer reactions

Aran Lamaire (UGent) , Massimo Bocus (UGent) , Ruben Goeminne (UGent) , Sander Vandenhaute (UGent) , Maarten Cools-Ceuppens (UGent) , Toon Verstraelen (UGent) and Veronique Van Speybroeck (UGent)

(2023) Quantum2 on machine learning enhanced sampling, Abstracts.
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- Journal Article
- A1
- open access
Machine learning potentials for metal-organic frameworks using an incremental learning approach

Sander Vandenhaute (UGent) , Maarten Cools-Ceuppens (UGent) , Simon DeKeyser, Toon Verstraelen (UGent) and Veronique Van Speybroeck (UGent)

(2023) NPJ COMPUTATIONAL MATERIALS. 9(1).
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Accurately determining the transition temperature of metal halide perovskites via RPA calculations and phase-transferable machine learning potentials

Tom Braeckevelt (UGent) , Ruben Goeminne (UGent) , Sander Vandenhaute (UGent) , Sander Borgmans (UGent) , Toon Verstraelen (UGent) , Julian A. Steele, Maarten B. J. Roeffaers, Johan Hofkens, Sven Rogge (UGent) and Veronique Van Speybroeck (UGent)

(2022) Density Functional Theory and its Applications, 19th International Conference, Abstracts.
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- Conference Paper
- C3
Machine learning potentials for metal-organic frameworks with thermodynamic transferability

Sander Vandenhaute (UGent) , Veronique Van Speybroeck (UGent) , Toon Verstraelen (UGent) and Maarten Cools-Ceuppens (UGent)

(2022) Twelfth triennial congress of the World Association of Theoretical and Computational Chemists, WATOC 2020.

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