Daniel Tianhou Zhang

Om

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

Supervisor: Titus van Erp (NTNU)

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

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

Poster

Zhang, 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. Norwegian Chemical Society TRAINS conference , Oslo 2023-11-27 - 2023-11-30
Vitenskapelig foredrag

Zhang, Daniel Tianhou; van Erp, Titus Sebastiaan. (2023) Pushing the Limits of Time Scales in Molecular Simulation. Universitetet i Stavanger Science lecture , Stavanger 2023-06-08 - 2023-06-08
Vitenskapelig foredrag

Zhang, Daniel Tianhou. (2023) Infinite Swapping & Asynchronous Path Sampling. Ghent University Invited speaker , Ghent 2023-07-03 - 2023-07-03
Vitenskapelig foredrag

Zhang, Daniel Tianhou. (2023) Asynchronous & Infinite Replica Exchange Rare Event Sampling. Tokyo Woman's Christian University Invited speaker , Tokyo 2023-08-05 - 2023-08-05
Vitenskapelig foredrag

Zhang, Daniel Tianhou. (2023) Asynchronous & Infinite Replica Exchange Rare Event Sampling. STATPHYS28 STATPHYS28 , The University of Tokyo 2023-08-09 - 2023-08-09

Poster

Bråten, Vilde; Zhang, Daniel Tianhou; Hammer, Morten; Aasen, Ailo; Schnell, Sondre Kvalvåg; Wilhelmsen, Øivind. (2022) Equation of State for Confined Nanosystems. TU Graz 32nd European Symposium on Applied Thermodynamics 2022 , Graz 2022-07-17 - 2022-07-20
Vitenskapelig foredrag

Zhang, Daniel Tianhou. (2022) Rare Event Sampling of Ruthenium Redox Reactions. Norsk Kjemisk Selskap Annual Meeting of the Quantum and Computational Chemistry Chapter of the Norwegian Chemical Society , Bergen 2022-11-28 - 2022-11-29

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 2021-06-20 - 2021-06-26
Vitenskapelig foredrag

Bråten, Vilde; Zhang, Daniel Tianhou; Hammer, Morten; Aasen, Ailo; Schnell, Sondre Kvalvåg; Wilhelmsen, Øivind. (2021) Perturbation Theory for Fluids under Confinement. InterPore2021 2021-05-31 - 2021-06-04
Vitenskapelig foredrag

Zhang, Daniel Tianhou. (2021) Enhanced MC moves and Sampling Redox Reactions. Winter School for Theoretical Chemistry and Spectroscopy Winter School for Theoretical Chemistry and Spectroscopy , Han-sur-Lesse 2021-11-29 - 2021-12-03
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 Norsk Kjemisk Selskap - Functional Inorganic Materials , Lillestrøm 2021-11-01 - 2021-11-02