Accurate description of phase transitions in flexible materials using transferable machine learning potentials
Master of Science in Engineering Physics
2022
Prof. Dr. ir. Toon Verstraelen
Beyond Tree Tensor Networks in quantum many-body physics
Master of Science in Physics and Astronomy
2019
Supervisors
Prof. Dr. Dimitri Van Neck, Prof. Dr. ir. Toon VerstraelenChemical bonds in crystals: a machine learning view
Master of Science in Engineering Physics
2021
Chemical bonds in crystals: a machine learning view
Master of Science in Engineering Physics
2020
Boosting the discovery rate of energy materials using deep learning
Master of Science in Engineering Physics
2020
Understanding Noncovalent Interactions in Force Fields through Quantum Mechanics: Application to Gas Adsorption in Metal-Organic Frameworks
Wed, 08/05/2019
Faculty of Engineering and Architecture, Jozef Plateaustraat, Ghent
Variational information-theoretic atoms-in-molecules
Fri, 07/07/2017
The development of hybrid MC/MD schemes to model the adsorption of guest molecules in flexible metal-organic frameworks
Master of Science in Engineering Physics
2018
Constructing accurate coarse-grained force fields by variational minimization: The subtle balance between accuracy and sparseness
Master of Science in Engineering Physics
2018
Derivation and application of a reliable procedure to computationally model the mechanical stability of rigid and flexible metal-organic frameworks
Fri, 25/05/2018
Faculty of Engineering and Architecture, Jozef Plateaustraat, Ghent
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