Model-Informed Training Data Curation for Reactive All-Atom Potentials
Fri, 20/06/2025
iGent tower, Technologiepark, Zwijnaarde
Prof. Dr. ir. Toon Verstraelen
Primary tabs
Content
This is a debugging block
Development and Applications of the Frequency-Dependent Polarizable Force Field ACKS2ω
Mon, 13/11/2023
Campus Sterre S2 Krijgslaan 281, 9000 Gent
Supervisors
Prof. Dr. ir. Toon VerstraelenAttachment (private)
Accurate description of phase transitions in flexible materials using transferable machine learning potentials
Master of Science in Engineering Physics
2022
UGain (building 60, Magnel), Technologiepark, Zwijnaarde
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
Attachment (private)
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
Pages
Postscript First
This is a debugging block
Postscript Second
This is a debugging block
Postscript Third
This is a debugging block
Preface First
This is a debugging block
Preface Second
This is a debugging block
Preface Third
This is a debugging block