Toon Verstraelen

Ghent University

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Articles (14)

Collaborators (8)

Wassja Kopp

RWTH Aachen University

Veronique Van Speybroeck

Ghent University

Kai Leonhard

RWTH Aachen University

Paul W. Ayers

McMaster University

Louis Vanduyfhuys

Assistent professor

Ghent University

Thomas Nevolianis

RWTH Aachen University

Massimo Bocus

Ghent University

Lukas Krep

RWTH Aachen University

Toon Verstraelen

Research Interests

Explore related searches

Contact this professor

Articles (14)

Collaborators (8)

Wassja Kopp

Veronique Van Speybroeck

Kai Leonhard

Paul W. Ayers

Louis Vanduyfhuys

Thomas Nevolianis

Massimo Bocus

Lukas Krep

How do I reach out?

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Toon Verstraelen

Research Interests

Explore related searches

Contact this professor

Articles (14)

Simple Molecular Model for Hydrated Silicate Ionic Liquids, a Realistic Zeolite Precursor

Grid: A Python library for molecular integration, interpolation, differentiation, and more

The tale of HORTON: Lessons learned in a decade of scientific software development

Managing Expectations and Imbalanced Training Data in Reactive Force Field Development: An Application to Water Adsorption on Alumina

A Reactive Molecular Dynamics Study of Chlorinated Organic Compounds. Part I: Force Field Development

A Reactive Molecular Dynamics Study of Chlorinated Organic Compounds. Part II: A ChemTraYzer Study of Chlorinated Dibenzofuran Formation and Decomposition Processes

A Reactive Molecular Dynamics Study of Chlorinated Organic Compounds. Part II: A ChemTraYzer Study of Chlorinated Dibenzofuran Formation and Decomposition Processes

Front Cover: A Reactive Molecular Dynamics Study of Chlorinated Organic Compounds. Part II: A ChemTraYzer Study of Chlorinated Dibenzofuran Formation and Decomposition Processes (ChemPhysChem 7/2023)

DFT-Quality Adsorption Simulations in Metal–Organic Frameworks Enabled by Machine Learning Potentials

The significance of fluctuating charges for molecular polarizability and dispersion coefficients

Sensitivity Analysis for ReaxFF Reparametrization Using the Hilbert–Schmidt Independence Criterion

Impact of Ad Hoc Post-Processing Parameters on the Lubricant Viscosity Calculated with Equilibrium Molecular Dynamics Simulations

Machine learning potentials for metal-organic frameworks using an incremental learning approach

Quantum Free Energy Profiles for Molecular Proton Transfers

Collaborators (8)

Wassja Kopp

Veronique Van Speybroeck

Kai Leonhard

Paul W. Ayers

Louis Vanduyfhuys

Thomas Nevolianis

Massimo Bocus

Lukas Krep

How do I reach out?

Meet Kite AI