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The Journal of Chemical Physics|August 1, 2023
Neutral-to-ionic photoinduced phase transition of tetrathiafulvalene-p-chloranil by electronic and vibrational excitation: A real-time nuclear-electronic dynamics simulation studyTatsuki Hanada, Hiroki Uratani, Hiromi NakaiJournal of Chemical Theory and Computation|February 12, 2021
Trajectory Surface Hopping Approach to Condensed-Phase Nonradiative Relaxation Dynamics Using Divide-and-Conquer Spin-Flip Time-Dependent Density-Functional Tight BindingHiroki Uratani, Takeshi Yoshikawa, Hiromi NakaiPhysical Chemistry Chemical Physics : PCCP|December 6, 2019
Quantum mechanical molecular dynamics simulations of polaron formation in methylammonium lead iodide perovskiteHiroki Uratani, Chien-Pin Chou, Hiromi NakaiCommunications Chemistry|July 18, 2026
Inorganic benzenes with inverted singlet-triplet gapsKatsuyuki Shizu, Kuraudo Ishihara, Hiroki Uratani, et al.Journal of Chemical Theory and Computation|November 16, 2020
Fast Nonadiabatic Molecular Dynamics via Spin-Flip Time-Dependent Density-Functional Tight-Binding Approach: Application to Nonradiative Relaxation of Tetraphenylethylene with Locked Aromatic RingsHiroki Uratani, Toshiki Morioka, Takeshi Yoshikawa, et al.Physical Chemistry Chemical Physics : PCCP|February 4, 2026
Dopant distributions and band-edge positions in Sr-doped NaTaO3: a first-principles studyRyusei Morimoto, Hiroki Uratani, Hiroshi Onishi, et al.Applied Psychophysiology and Biofeedback|June 19, 2021
History and Recent Advances of the Japanese Society of Biofeedback ResearchLeo O Oikawa, Akihisa Hirota, Hiroki Uratani, et al.The Journal of Chemical Physics|November 12, 2024
Molecular models of PM6 for non-fullerene acceptor organic solar cells: How DAD and ADA structures impact charge separation and charge recombinationPuttipong Pananusorn, Hikaru Sotome, Hiroki Uratani, et al.Scientific Reports|December 22, 2016
Detailed analysis of charge transport in amorphous organic thin layer by multiscale simulation without any adjustable parametersHiroki Uratani, Shosei Kubo, Katsuyuki Shizu, et al.Nature Communications|February 5, 2025
Discrete coordination nanochains based on photoluminescent dyes reveal intrachain exciton migration dynamicsRyojun Toyoda, Naoya Fukui, Haru Taniguchi, et al.Pageof 3