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Kota Hanasaki

Showing results (1-10 of 10) with videos related to

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Journal of Chemical Theory and Computation|February 8, 2025
Development of Real-Time TDDFT Program with <b>k</b>-Point Sampling and DFT + <i>U</i> in a Gaussian and Plane Waves FrameworkKota Hanasaki, Sandra Luber
The Journal of Chemical Physics|May 4, 2021
On the molecular electronic flux: Role of nonadiabaticity and violation of conservationKota Hanasaki, Kazuo Takatsuka
The Journal of Chemical Physics|October 13, 2023
Spin current in the early stage of radical reactions and its mechanismsKota Hanasaki, Kazuo Takatsuka
The Journal of Chemical Physics|September 1, 2019
Relativistic theory of electron-nucleus-radiation coupled dynamics in molecules: Wavepacket approachKota Hanasaki, Kazuo Takatsuka
Chemical Reviews|November 15, 2011
Fundamental approaches to nonadiabaticity: toward a chemical theory beyond the Born-Oppenheimer paradigmTakehiro Yonehara, Kota Hanasaki, Kazuo Takatsuka
The Journal of Chemical Physics|January 3, 2019
An efficient approximate algorithm for nonadiabatic molecular dynamicsKota Hanasaki, Manabu Kanno, Thomas A Niehaus, et al.
Structural Dynamics (Melville, N.Y.)|January 23, 2016
Efficient electronic structure calculation for molecular ionization dynamics at high x-ray intensityYajiang Hao, Ludger Inhester, Kota Hanasaki, et al.
Journal of Computational Chemistry|December 24, 2022
Implementation of real-time TDDFT for periodic systems in the open-source PySCF software packageKota Hanasaki, Zulfikhar A Ali, Min Choi, et al.
Journal of Hazardous Materials|September 4, 2021
Photo-induced degradation of PFASs: Excited-state mechanisms from real-time time-dependent density functional theorySharma S R K C Yamijala, Ravindra Shinde, Kota Hanasaki, et al.
The Journal of Physical Chemistry. A|August 4, 2025
Exploring Excited-State Electronic Structure, Spectroscopy, and Nonadiabatic Dynamics with CP2K's Multifaceted ApproachKota Hanasaki, Tjeerd Futaii de Jong, Konstantin Komarov, et al.
Pageof 1

Showing results (1-10 of 10) with videos related to

Sort By:
Pageof 1
Journal of Chemical Theory and Computation|February 8, 2025
Development of Real-Time TDDFT Program with <b>k</b>-Point Sampling and DFT + <i>U</i> in a Gaussian and Plane Waves FrameworkKota Hanasaki, Sandra Luber
The Journal of Chemical Physics|May 4, 2021
On the molecular electronic flux: Role of nonadiabaticity and violation of conservationKota Hanasaki, Kazuo Takatsuka
The Journal of Chemical Physics|October 13, 2023
Spin current in the early stage of radical reactions and its mechanismsKota Hanasaki, Kazuo Takatsuka
The Journal of Chemical Physics|September 1, 2019
Relativistic theory of electron-nucleus-radiation coupled dynamics in molecules: Wavepacket approachKota Hanasaki, Kazuo Takatsuka
Chemical Reviews|November 15, 2011
Fundamental approaches to nonadiabaticity: toward a chemical theory beyond the Born-Oppenheimer paradigmTakehiro Yonehara, Kota Hanasaki, Kazuo Takatsuka
The Journal of Chemical Physics|January 3, 2019
An efficient approximate algorithm for nonadiabatic molecular dynamicsKota Hanasaki, Manabu Kanno, Thomas A Niehaus, et al.
Structural Dynamics (Melville, N.Y.)|January 23, 2016
Efficient electronic structure calculation for molecular ionization dynamics at high x-ray intensityYajiang Hao, Ludger Inhester, Kota Hanasaki, et al.
Journal of Computational Chemistry|December 24, 2022
Implementation of real-time TDDFT for periodic systems in the open-source PySCF software packageKota Hanasaki, Zulfikhar A Ali, Min Choi, et al.
Journal of Hazardous Materials|September 4, 2021
Photo-induced degradation of PFASs: Excited-state mechanisms from real-time time-dependent density functional theorySharma S R K C Yamijala, Ravindra Shinde, Kota Hanasaki, et al.
The Journal of Physical Chemistry. A|August 4, 2025
Exploring Excited-State Electronic Structure, Spectroscopy, and Nonadiabatic Dynamics with CP2K's Multifaceted ApproachKota Hanasaki, Tjeerd Futaii de Jong, Konstantin Komarov, et al.
Pageof 1