Yosuke Kanai

Affiliations:

Chemistry

University of North Carolina, Chapel Hill, Chapel Hill, NC

Area:

Theoretical/Computational Chemistry, First-Principles Electronic Structure Theory, First Principles Molecular Dynamics, Computational Materials Chemistry and Physics, Surface Reactions

Website:

http://www.chem.unc.edu/people/faculty/kanai/index.html

Google:

"Yosuke Kanai"

Bio:

http://www.chem.unc.edu/people/faculty/kanai/group/index.html

Mean distance: 9.27

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Parents

Roberto Car	grad student	2006	Princeton
Annabella Selloni	grad student	2006	Princeton
(Surface chemistry of silicon: First principles studies of reaction mechanisms.)
Jeffrey C. Grossman	post-doc	2006-2009	UC Berkeley

Children

Lesheng Li	grad student	2012-2018	UNC Chapel Hill
Dillon C. Yost	grad student	2014-2019	UNC Chapel Hill

Collaborators

BETA: Related publications

Publications

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Xu J, Carney TE, Zhou R, et al. (2024) Real-Time Time-Dependent Density Functional Theory for Simulating Nonequilibrium Electron Dynamics. Journal of the American Chemical Society
Xu J, Zhou R, Blum V, et al. (2023) First-Principles Approach for Coupled Quantum Dynamics of Electrons and Protons in Heterogeneous Systems. Physical Review Letters. 131: 238002
Shepard C, Kanai Y. (2023) Ion-Type Dependence of DNA Electronic Excitation in Water under Proton, α-Particle, and Carbon Ion Irradiation: A First-Principles Simulation Study. The Journal of Physical Chemistry. B. 127: 10700-10709
Zhou R, Kanai Y. (2023) Molecular Control of Floquet Topological Phase in Non-adiabatic Thouless Pumping. The Journal of Physical Chemistry Letters. 14: 8205-8212
Shepard C, Yost DC, Kanai Y. (2023) Electronic Excitation Response of DNA to High-Energy Proton Radiation in Water. Physical Review Letters. 130: 118401
Xu J, Zhou R, Tao Z, et al. (2022) Nuclear-electronic orbital approach to quantization of protons in periodic electronic structure calculations. The Journal of Chemical Physics. 156: 224111
Shepard C, Kanai Y. (2022) Nonlinear electronic excitation in water under proton irradiation: a first principles study. Physical Chemistry Chemical Physics : Pccp
Yao Y, Golze D, Rinke P, et al. (2022) All-Electron BSE@ Method for -Edge Core Electron Excitation Energies. Journal of Chemical Theory and Computation
Hekele J, Yao Y, Kanai Y, et al. (2021) All-electron real-time and imaginary-time time-dependent density functional theory within a numeric atom-centered basis function framework. The Journal of Chemical Physics. 155: 154801
Shepard C, Zhou R, Yost DC, et al. (2021) Simulating electronic excitation and dynamics with real-time propagation approach to TDDFT within plane-wave pseudopotential formulation. The Journal of Chemical Physics. 155: 100901