Daniel Tianhou Zhang
Om
Ph.D Working Title: "Rare Events at the Excited State"
Supervisor: Titus van Erp (NTNU)
Publikasjoner
2026
-
van Erp, Titus Sebastiaan;
Zhang, Daniel Tianhou;
Wils, Elias;
Safaei, Sina;
Ghysels, An.
(2026)
Generalized path reweighting and history-dependent free energies.
Journal of Chemical Physics
Vitenskapelig artikkel
-
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
Vitenskapelig artikkel
-
Zhang, Daniel Tianhou;
Baldauf, Lukas;
Lazarski, Grzegorz;
van Erp, Titus Sebastiaan;
Shinoda, Wataru.
(2026)
Membrane Pore Formation Unveiled by ∞RETIS Path Sampling: From Thinning to Flip-Flop.
Journal of Chemical Theory and Computation
Vitenskapelig artikkel
2024
-
Zhang, Daniel Tianhou;
Baldauf, Lukas;
Roet, Sander Johannes Simon;
Lervik, Anders;
van Erp, Titus Sebastiaan.
(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)
Vitenskapelig artikkel
-
Vervust, Wouter;
Zhang, Daniel Tianhou;
Ghysels, An;
Roet, Sander Johannes Simon;
van Erp, Titus Sebastiaan;
Riccardi, Enrico.
(2024)
PyRETIS 3: Conquering rare and slow events without boundaries.
Journal of Computational Chemistry
Vitenskapelig artikkel
2023
-
Vervust, Wouter;
Zhang, Daniel Tianhou;
van Erp, Titus Sebastiaan;
Ghysels, An.
(2023)
Path sampling with memory reduction and replica exchange to reach long permeation timescales.
Biophysical Journal
Vitenskapelig artikkel
-
Zhang, Daniel Tianhou;
Riccardi, Enrico;
van Erp, Titus Sebastiaan.
(2023)
Enhanced path sampling using subtrajectory Monte Carlo moves.
Journal of Chemical Physics
Vitenskapelig artikkel
2022
-
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
Vitenskapelig artikkel
-
van Erp, Titus Sebastiaan;
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
Masteroppgave
-
Roet, Sander Johannes Simon;
Zhang, Daniel Tianhou;
van Erp, Titus Sebastiaan.
(2022)
Exchanging Replicas with Unequal Cost, Infinitely and Permanently.
Journal of Physical Chemistry A
Vitenskapelig artikkel
Tidsskriftspublikasjoner
-
van Erp, Titus Sebastiaan;
Zhang, Daniel Tianhou;
Wils, Elias;
Safaei, Sina;
Ghysels, An.
(2026)
Generalized path reweighting and history-dependent free energies.
Journal of Chemical Physics
Vitenskapelig artikkel
-
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
Vitenskapelig artikkel
-
Zhang, Daniel Tianhou;
Baldauf, Lukas;
Lazarski, Grzegorz;
van Erp, Titus Sebastiaan;
Shinoda, Wataru.
(2026)
Membrane Pore Formation Unveiled by ∞RETIS Path Sampling: From Thinning to Flip-Flop.
Journal of Chemical Theory and Computation
Vitenskapelig artikkel
-
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
Vitenskapelig artikkel
-
Zhang, Daniel Tianhou;
Baldauf, Lukas;
Roet, Sander Johannes Simon;
Lervik, Anders;
van Erp, Titus Sebastiaan.
(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)
Vitenskapelig artikkel
-
Vervust, Wouter;
Zhang, Daniel Tianhou;
van Erp, Titus Sebastiaan;
Ghysels, An.
(2023)
Path sampling with memory reduction and replica exchange to reach long permeation timescales.
Biophysical Journal
Vitenskapelig artikkel
-
Vervust, Wouter;
Zhang, Daniel Tianhou;
Ghysels, An;
Roet, Sander Johannes Simon;
van Erp, Titus Sebastiaan;
Riccardi, Enrico.
(2024)
PyRETIS 3: Conquering rare and slow events without boundaries.
Journal of Computational Chemistry
Vitenskapelig artikkel
-
Roet, Sander Johannes Simon;
Zhang, Daniel Tianhou;
van Erp, Titus Sebastiaan.
(2022)
Exchanging Replicas with Unequal Cost, Infinitely and Permanently.
Journal of Physical Chemistry A
Vitenskapelig artikkel
-
Zhang, Daniel Tianhou;
Riccardi, Enrico;
van Erp, Titus Sebastiaan.
(2023)
Enhanced path sampling using subtrajectory Monte Carlo moves.
Journal of Chemical Physics
Vitenskapelig artikkel
Studentoppgave eller avhandling
-
van Erp, Titus Sebastiaan;
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
Masteroppgave
Formidling
2025
-
Konferansepostervan Erp, Titus Sebastiaan; Baldauf, Lukas; Zhang, Daniel Tianhou; Lervik, Anders. (2025) Massively parallel path sampling for ab initio aqueous chemical reactions. WATOC
-
Konferanseforedragvan Erp, Titus Sebastiaan; 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
2023
-
KonferanseposterZhang, Daniel Tianhou; Baldauf, Lukas; Roet, Sander Johannes Simon; Lervik, Anders; van Erp, Titus Sebastiaan. (2023) Highly Parallel Path Sampling with Asynchronous and Infinite Replica Exchange. TRAINS conference
-
KonferanseforedragZhang, Daniel Tianhou; van Erp, Titus Sebastiaan. (2023) Pushing the Limits of Time Scales in Molecular Simulation. Science lecture
-
Konferanseforedrag
-
KonferanseforedragZhang, Daniel Tianhou. (2023) Asynchronous & Infinite Replica Exchange Rare Event Sampling. Invited speaker
-
KonferanseforedragZhang, Daniel Tianhou. (2023) Asynchronous & Infinite Replica Exchange Rare Event Sampling. STATPHYS28
2022
-
KonferanseforedragZhang, Daniel Tianhou. (2022) Rare Event Sampling of Ruthenium Redox Reactions. Annual Meeting of the Quantum and Computational Chemistry Chapter of the Norwegian Chemical Society
-
KonferanseposterBråten, 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
2021
-
KonferanseforedragZhang, Daniel Tianhou. (2021) Enhanced MC moves and Sampling Redox Reactions. Winter School for Theoretical Chemistry and Spectroscopy
-
KonferanseforedragBråten, 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
-
KonferanseforedragBråten, 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
-
KonferanseforedragBråten, Vilde; Zhang, Daniel Tianhou; Hammer, Morten; Aasen, Ailo; Schnell, Sondre Kvalvåg; Wilhelmsen, Øivind. (2021) Perturbation Theory for Fluids under Confinement. InterPore2021