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The Journal of Physical Chemistry. A|November 17, 2022
Exchanging Replicas with Unequal Cost, Infinitely and PermanentlySander Roet, Daniel T Zhang, Titus S van ErpProceedings of the National Academy of Sciences of the United States of America|February 5, 2024
Highly parallelizable path sampling with minimal rejections using asynchronous replica exchange and infinite swapsDaniel T Zhang, Lukas Baldauf, Sander Roet, et al.Journal of Computational Chemistry|February 12, 2024
PyRETIS 3: Conquering rare and slow events without boundariesWouter Vervust, Daniel T Zhang, An Ghysels, et al.Journal of Computational Chemistry|November 20, 2019
PyRETIS 2: An improbability drive for rare eventsEnrico Riccardi, Anders Lervik, Sander Roet, et al.The Journal of Chemical Physics|January 14, 2023
Enhanced path sampling using subtrajectory Monte Carlo movesDaniel T Zhang, Enrico Riccardi, Titus S van ErpBiophysical Journal|February 22, 2023
Path sampling with memory reduction and replica exchange to reach long permeation timescalesWouter Vervust, Daniel T Zhang, Titus S van Erp, et al.Physical Review Letters|August 7, 2007
Reaction rate calculation by parallel path swappingTitus S van ErpThe Journal of Chemical Physics|November 15, 2006
Efficiency analysis of reaction rate calculation methods using analytical models I: The two-dimensional sharp barrierTitus S van ErpBiophysical Journal|April 25, 2025
Path sampling challenges in large biomolecular systems: RETIS and REPPTIS for ABL-imatinib kineticsWouter Vervust, Daniel T Zhang, Enrico Riccardi, et al.The Journal of Chemical Physics|June 1, 2026
Generalized path reweighting and history-dependent free energiesTitus S van Erp, Daniel T Zhang, Elias Wils, et al.Pageof 5