Daniel Tianhou Zhang

Om

Ph.D Working Title: "Rare Events at the Excited State"

Supervisor: Titus van Erp (NTNU)

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)
Vitenskapelig artikkel
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
Vitenskapelig artikkel

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
Vitenskapelig artikkel
Zhang, Daniel Tianhou; Riccardi, Enrico; Erp, Titus Sebastiaan van. (2023) Enhanced path sampling using subtrajectory Monte Carlo moves. Journal of Chemical Physics
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
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
Mastergradsoppgave
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
Vitenskapelig artikkel

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)
Vitenskapelig artikkel
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
Vitenskapelig artikkel
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
Vitenskapelig artikkel
Zhang, Daniel Tianhou; Riccardi, Enrico; Erp, Titus Sebastiaan van. (2023) Enhanced path sampling using subtrajectory Monte Carlo moves. Journal of Chemical Physics
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
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
Vitenskapelig artikkel

Poster

Erp, 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
Vitenskapelig foredrag

Erp, 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

Poster

Zhang, 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
Vitenskapelig foredrag

Zhang, 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
Vitenskapelig foredrag

Zhang, Daniel Tianhou. (2023) Infinite Swapping & Asynchronous Path Sampling. Invited speaker , Ghent 03.07.2023 - 03.07.2023
Vitenskapelig foredrag

Zhang, Daniel Tianhou. (2023) Asynchronous & Infinite Replica Exchange Rare Event Sampling. Invited speaker , Tokyo 05.08.2023 - 05.08.2023
Vitenskapelig foredrag

Zhang, Daniel Tianhou. (2023) Asynchronous & Infinite Replica Exchange Rare Event Sampling. STATPHYS28 , The University of Tokyo 09.08.2023 - 09.08.2023

Vitenskapelig foredrag

Zhang, 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
Poster

Bråten, 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

Vitenskapelig foredrag

Zhang, 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
Vitenskapelig foredrag

Bråten, 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
Vitenskapelig foredrag

Bråten, 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
Vitenskapelig foredrag

Bråten, 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