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The Journal of Physical Chemistry Letters|January 28, 2017
Charge Carrier Trapping at Surface Defects of Perovskite Solar Cell Absorbers: A First-Principles StudyHiroki Uratani, Koichi YamashitaPhysical Chemistry Chemical Physics : PCCP|July 3, 2025
Quantum-chemical molecular dynamics study of polaron formation in perovskite NaTaO3 as a water-splitting photocatalystHiroki Uratani, Hiroshi OnishiJournal of Chemical Theory and Computation|December 3, 2021
Scalable Ehrenfest Molecular Dynamics Exploiting the Locality of Density-Functional Tight-Binding HamiltonianHiroki Uratani, Hiromi NakaiThe Journal of Physical Chemistry Letters|February 24, 2023
Nanoscale and Real-Time Nuclear-Electronic Dynamics Simulation Study of Charge Transfer at the Donor-Acceptor Interface in Organic PhotovoltaicsHiroki Uratani, Hiromi NakaiThe Journal of Chemical Physics|June 15, 2020
Non-adiabatic molecular dynamics with divide-and-conquer type large-scale excited-state calculationsHiroki Uratani, Hiromi NakaiThe Journal of Chemical Physics|May 5, 2026
Fluctuation-induced acceleration of inter-ligand exciton transfer in bis(dipyrrinato)Zn(II) complexHiroki Uratani, Hirofumi SatoThe Journal of Physical Chemistry Letters|May 19, 2020
Simulating the Coupled Structural-Electronic Dynamics of Photoexcited Lead Iodide PerovskitesHiroki Uratani, Hiromi NakaiThe Journal of Chemical Physics|November 22, 2024
Encapsulation-induced hypsochromic shift of emission properties from a cationic Ir(III) complex in a hydrogen-bonded organic cage: A theoretical studyHiroki Uratani, Shinnosuke HoriuchiAnnual International Conference of the IEEE Engineering in Medicine and Biology Society. IEEE Engineering in Medicine and Biology Society. Annual International Conference|January 9, 2015
Basic study on the most relaxing respiration period in children to aid the development of a respiration-leading stuffed toyHiroki Uratani, Kohzoh Yoshino, Mieko OhsugaThe Journal of Physical Chemistry. A|July 11, 2024
Implementation of Nonadiabatic Molecular Dynamics for Intersystem Crossing Based on a Time-Dependent Density-Functional Tight-Binding MethodShota Ohno, Hiroki Uratani, Hiromi NakaiPageof 3