Toon Verstraelen

30PUBLICATIONS
49CO-AUTHORS
Computational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Stochastic analysis and modellingTheoretical quantum chemistryMathematical aspects of general relativityProcedural content generation
Featured researcher

Get your video featured.

JoVEPublish with JoVE
Journal

Publications (30)

|Jul 27, 2026
Reliable Viscosity Calculation from High-Pressure Equilibrium Molecular Dynamics: Case Study of 2,2,4-Trimethylhexane.

|Sep 16, 2025
STable AutoCorrelation Integral Estimator: Robust and Accurate Transport Properties from Molecular Dynamics Simulations.

Gözdenur Toraman, Dieter Fauconnier, Toon Verstraelen

|Nov 08, 2024
Variational Hirshfeld Partitioning: General Framework and the Additive Variational Hirshfeld Partitioning Method.

Farnaz Heidar-Zadeh, Carlos Castillo-Orellana, Maximilian van Zyl

|Jul 30, 2024
GBasis: A Python library for evaluating functions, functionals, and integrals expressed with Gaussian basis functions.

Taewon David Kim, Leila Pujal, Michelle Richer

|May 15, 2024
Grid: A Python library for molecular integration, interpolation, differentiation, and more.

Alireza Tehrani, Xiaotian Derrick Yang, Marco Martínez-González

|Apr 23, 2024
The tale of HORTON: Lessons learned in a decade of scientific software development.

Matthew Chan, Toon Verstraelen, Alireza Tehrani

Pageof 5

Frequent Collaborators

9 joint publications

Esteban Vöhringer-Martinez

7 joint publications

Paul W Ayers

6 joint publications

Farnaz Heidar-Zadeh

6 joint publications

Leonid Komissarov