An Ghysels

12PUBLICATIONS
21CO-AUTHORS
Computational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Microbial taxonomyEvolutionary computationElectrical energy storageAtomic and molecular physics
Featured researcher

Get your video featured.

JoVEPublish with JoVE
Journal

Publications (12)

|Jun 01, 2026
Generalized path reweighting and history-dependent free energies.

|Feb 02, 2026
Estimating Full Path Lengths and Kinetics from Partial Path Transition Interface Sampling Simulations.

Wouter Vervust, Elias Wils, Sina Safaei

|Sep 18, 2025
Exact Kinetics of Drug Permeation Using Transition Interface Sampling.

Sina Safaei, Lukas Baldauf, Titus S van Erp

|May 16, 2025
Myelin sheaths can act as compact temporary oxygen storage units as modeled by an electrical RC circuit model.

Wouter Vervust, Sina Safaei, Katja Witschas

|Jan 14, 2025
Validation of a Coarse-Grained Martini 3 Model for Molecular Oxygen.

Samaneh Davoudi, Petteri A Vainikka, Siewert J Marrink

|Feb 12, 2024
PyRETIS 3: Conquering rare and slow events without boundaries.

Wouter Vervust, Daniel T Zhang, An Ghysels

Pageof 2

Frequent Collaborators

4 joint publications

Sina Safaei

4 joint publications

Titus S van Erp

3 joint publications

Richard W Pastor

3 joint publications

Daniel T Zhang