Daniel Tianhou Zhang
Publications
2026
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Vervust, Wouter;
Wils, Elias;
Safaei, Sina;
Zhang, Daniel Tianhou;
Ghysels, An.
(2026)
Estimating Full Path Lengths and Kinetics from Partial Path Transition Interface Sampling Simulations.
Journal of Chemical Theory and Computation
Academic article
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Zhang, Daniel Tianhou;
Baldauf, Lukas;
Lazarski, Grzegorz;
Erp, Titus Sebastiaan van;
Shinoda, Wataru.
(2026)
Membrane Pore Formation Unveiled by ∞RETIS Path Sampling: From Thinning to Flip-Flop.
Journal of Chemical Theory and Computation
Academic article
2024
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Zhang, Daniel Tianhou;
Baldauf, Lukas;
Roet, Sander Johannes Simon;
Lervik, Anders;
Erp, Titus Sebastiaan van.
(2024)
Highly parallelizable path sampling with minimal rejections using asynchronous replica exchange and infinite swaps.
Proceedings of the National Academy of Sciences of the United States of America (PNAS)
Academic article
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Vervust, Wouter;
Zhang, Daniel Tianhou;
Ghysels, An;
Roet, Sander Johannes Simon;
Erp, Titus Sebastiaan van;
Riccardi, Enrico.
(2024)
PyRETIS 3: Conquering rare and slow events without boundaries.
Journal of Computational Chemistry
Academic article
2023
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Vervust, Wouter;
Zhang, Daniel Tianhou;
Erp, Titus Sebastiaan van;
Ghysels, An.
(2023)
Path sampling with memory reduction and replica exchange to reach long permeation timescales.
Biophysical Journal
Academic article
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Zhang, Daniel Tianhou;
Riccardi, Enrico;
Erp, Titus Sebastiaan van.
(2023)
Enhanced path sampling using subtrajectory Monte Carlo moves.
Journal of Chemical Physics
Academic article
2022
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Bråten, Vilde;
Zhang, Daniel Tianhou;
Hammer, Morten;
Aasen, Ailo;
Schnell, Sondre Kvalvåg;
Wilhelmsen, Øivind.
(2022)
Equation of state for confined fluids.
Journal of Chemical Physics
Academic article
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Erp, Titus Sebastiaan van;
Welfler, Benjamin;
Zhang, Daniel Tianhou.
(2022)
Using PyRETIS to study electron transfer reactions between Ru(II)/Ru(III) in an aqueous solution.
Norges teknisk-naturvitenskapelige universitet
Norges teknisk-naturvitenskapelige universitet
Masters thesis
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Roet, Sander Johannes Simon;
Zhang, Daniel Tianhou;
Erp, Titus Sebastiaan van.
(2022)
Exchanging Replicas with Unequal Cost, Infinitely and Permanently.
Journal of Physical Chemistry A
Academic article
Journal publications
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Vervust, Wouter;
Wils, Elias;
Safaei, Sina;
Zhang, Daniel Tianhou;
Ghysels, An.
(2026)
Estimating Full Path Lengths and Kinetics from Partial Path Transition Interface Sampling Simulations.
Journal of Chemical Theory and Computation
Academic article
-
Zhang, Daniel Tianhou;
Baldauf, Lukas;
Lazarski, Grzegorz;
Erp, Titus Sebastiaan van;
Shinoda, Wataru.
(2026)
Membrane Pore Formation Unveiled by ∞RETIS Path Sampling: From Thinning to Flip-Flop.
Journal of Chemical Theory and Computation
Academic article
-
Zhang, Daniel Tianhou;
Baldauf, Lukas;
Roet, Sander Johannes Simon;
Lervik, Anders;
Erp, Titus Sebastiaan van.
(2024)
Highly parallelizable path sampling with minimal rejections using asynchronous replica exchange and infinite swaps.
Proceedings of the National Academy of Sciences of the United States of America (PNAS)
Academic article
-
Vervust, Wouter;
Zhang, Daniel Tianhou;
Ghysels, An;
Roet, Sander Johannes Simon;
Erp, Titus Sebastiaan van;
Riccardi, Enrico.
(2024)
PyRETIS 3: Conquering rare and slow events without boundaries.
Journal of Computational Chemistry
Academic article
-
Vervust, Wouter;
Zhang, Daniel Tianhou;
Erp, Titus Sebastiaan van;
Ghysels, An.
(2023)
Path sampling with memory reduction and replica exchange to reach long permeation timescales.
Biophysical Journal
Academic article
-
Zhang, Daniel Tianhou;
Riccardi, Enrico;
Erp, Titus Sebastiaan van.
(2023)
Enhanced path sampling using subtrajectory Monte Carlo moves.
Journal of Chemical Physics
Academic article
-
Bråten, Vilde;
Zhang, Daniel Tianhou;
Hammer, Morten;
Aasen, Ailo;
Schnell, Sondre Kvalvåg;
Wilhelmsen, Øivind.
(2022)
Equation of state for confined fluids.
Journal of Chemical Physics
Academic article
-
Roet, Sander Johannes Simon;
Zhang, Daniel Tianhou;
Erp, Titus Sebastiaan van.
(2022)
Exchanging Replicas with Unequal Cost, Infinitely and Permanently.
Journal of Physical Chemistry A
Academic article
Report
-
Erp, Titus Sebastiaan van;
Welfler, Benjamin;
Zhang, Daniel Tianhou.
(2022)
Using PyRETIS to study electron transfer reactions between Ru(II)/Ru(III) in an aqueous solution.
Norges teknisk-naturvitenskapelige universitet
Norges teknisk-naturvitenskapelige universitet
Masters thesis
Outreach
2025
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PosterErp, Titus Sebastiaan van; Baldauf, Lukas; Zhang, Daniel Tianhou; Lervik, Anders. (2025) Massively parallel path sampling for ab initio aqueous chemical reactions. WATOC , Oslo 22.06.2025 - 27.06.2025
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Academic lectureErp, Titus Sebastiaan van; Zhang, Daniel Tianhou. (2025) Novel massively parallel path sampling approach applied to ab initio modeling of aqueous redox reactions and carbonic acid formation. ACS Spring 2025, March 23-27, 2025, in San Diego, CA , San Diego, CA 23.03.2025 - 27.03.2025
2023
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PosterZhang, Daniel Tianhou; Baldauf, Lukas; Roet, Sander Johannes Simon; Lervik, Anders; Erp, Titus Sebastiaan van. (2023) Highly Parallel Path Sampling with Asynchronous and Infinite Replica Exchange. TRAINS conference , Oslo 27.11.2023 - 30.11.2023
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Academic lectureZhang, Daniel Tianhou; Erp, Titus Sebastiaan van. (2023) Pushing the Limits of Time Scales in Molecular Simulation. Science lecture , Stavanger 08.06.2023 - 08.06.2023
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Academic lectureZhang, Daniel Tianhou. (2023) Infinite Swapping & Asynchronous Path Sampling. Invited speaker , Ghent 03.07.2023 - 03.07.2023
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Academic lectureZhang, Daniel Tianhou. (2023) Asynchronous & Infinite Replica Exchange Rare Event Sampling. Invited speaker , Tokyo 05.08.2023 - 05.08.2023
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Academic lectureZhang, Daniel Tianhou. (2023) Asynchronous & Infinite Replica Exchange Rare Event Sampling. STATPHYS28 , The University of Tokyo 09.08.2023 - 09.08.2023
2022
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Academic lectureZhang, Daniel Tianhou. (2022) Rare Event Sampling of Ruthenium Redox Reactions. Annual Meeting of the Quantum and Computational Chemistry Chapter of the Norwegian Chemical Society , Bergen 28.11.2022 - 29.11.2022
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PosterBråten, Vilde; Zhang, Daniel Tianhou; Hammer, Morten; Aasen, Ailo; Schnell, Sondre Kvalvåg; Wilhelmsen, Øivind. (2022) Equation of State for Confined Nanosystems. 32nd European Symposium on Applied Thermodynamics 2022 , Graz 17.07.2022 - 20.07.2022
2021
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Academic lectureZhang, Daniel Tianhou. (2021) Enhanced MC moves and Sampling Redox Reactions. Winter School for Theoretical Chemistry and Spectroscopy , Han-sur-Lesse 29.11.2021 - 03.12.2021
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Academic lectureBråten, Vilde; Zhang, Daniel Tianhou; Hammer, Morten; Aasen, Ailo; Schnell, Sondre Kvalvåg; Wilhelmsen, Øivind. (2021) Equation of State for Nanosystems. Norsk Kjemisk Selskap - Functional Inorganic Materials , Lillestrøm 01.11.2021 - 02.11.2021
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Academic lectureBråten, Vilde; Zhang, Daniel Tianhou; Hammer, Morten; Aasen, Ailo; Schnell, Sondre Kvalvåg; Wilhelmsen, Øivind. (2021) Perturbation Theory Based Equation of State for Small Systems under Confinement. Twenty-First Symposium on Thermophysical Properties 20.06.2021 - 26.06.2021
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Academic lectureBråten, Vilde; Zhang, Daniel Tianhou; Hammer, Morten; Aasen, Ailo; Schnell, Sondre Kvalvåg; Wilhelmsen, Øivind. (2021) Perturbation Theory for Fluids under Confinement. InterPore2021 31.05.2021 - 04.06.2021