Robbe Bohy

Posters

2026

[Poster] Transport Properties, Correlation Times, and Uncertainties in Molecular Dynamics Simulations with the STable AutoCorrelation Integral Estimator Applied to Squalane

Authors

Bohy R.; Toraman G.; Fauconnier D.; Verstraelen T.

MolSim 2026, Amsterdam, NL, 05/01/2026 - 16/01/2026

2025

[Poster] Robust Derivation of Uncertainties, Correlation Times, and Transport Properties from Molecular Dynamics Simulations: A Force Field Validation Study on Squalane

Authors

Bohy R.; Toraman G.; Fauconnier D.; Verstraelen T.

First Symposium on Computational Chemistry in Flanders: Computational Design of Drugs and Materials, Brussel, BE, 12/12/2025

Contact information

Technologiepark-Zwijnaarde 46
9052 Zwijnaarde
Belgium

robbe.bohy@ugent.be

+32 (0)9 264 65 36

References