Titus S van Erp

14PUBLICATIONS
17CO-AUTHORS
Computational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Experimental methods in fluid flow, heat and mass transferEvolutionary computationReaction kinetics and dynamicsFormal methods for software
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Publications (14)

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

|Jan 17, 2026
Membrane Pore Formation Unveiled by ∞RETIS Path Sampling: From Thinning to Flip-Flop.

Daniel Tianhou Zhang, Lukas Baldauf, Grzegorz Lazarski

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

Sina Safaei, Lukas Baldauf, Titus S van Erp

|May 01, 2025
NaCl Dissociation Explored Through Predictive Power Path Sampling Analysis.

Konrad Wilke, Shuxia Tao, Sofia Calero

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

Wouter Vervust, Daniel T Zhang, An Ghysels

|Feb 05, 2024
Highly parallelizable path sampling with minimal rejections using asynchronous replica exchange and infinite swaps.

Daniel T Zhang, Lukas Baldauf, Sander Roet

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Frequent Collaborators

5 joint publications

Daniel Tianhou Zhang

4 joint publications

Anders Lervik

4 joint publications

Enrico Riccardi

4 joint publications

An Ghysels