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Yosuke Kanai

Chemistry University of North Carolina, Chapel Hill, Chapel Hill, NC 
Theoretical/Computational Chemistry, First-Principles Electronic Structure Theory, First Principles Molecular Dynamics, Computational Materials Chemistry and Physics, Surface Reactions
"Yosuke Kanai"

Mean distance: 9.27


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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


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Lesheng Li grad student 2012-2018 UNC Chapel Hill
Dillon C. Yost grad student 2014-2019 UNC Chapel Hill
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Yao Y, Kanai Y. (2021) Nuclear Quantum Effect and Its Temperature Dependence in Liquid Water from Random Phase Approximation via Artificial Neural Network. The Journal of Physical Chemistry Letters. 6354-6362
Zhou R, Yost DC, Kanai Y. (2021) First-Principles Demonstration of Nonadiabatic Thouless Pumping of Electrons in a Molecular System. The Journal of Physical Chemistry Letters. 12: 4496-4503
Zhou R, Kanai Y. (2021) Dynamical transition orbitals: A particle-hole description in real-time TDDFT dynamics. The Journal of Chemical Physics. 154: 054107
Yao Y, Kanai Y. (2020) Temperature dependence of nuclear quantum effects on liquid water via artificial neural network model based on SCAN meta-GGA functional. The Journal of Chemical Physics. 153: 044114
Liu C, Kloppenburg J, Yao Y, et al. (2020) All-electron ab initio Bethe-Salpeter equation approach to neutral excitations in molecules with numeric atom-centered orbitals. The Journal of Chemical Physics. 152: 044105
Yost DC, Yao Y, Kanai Y. (2019) First-Principles Modeling of Electronic Stopping in Complex Matter Under Ion Irradiation. The Journal of Physical Chemistry Letters
Yost DC, Yao Y, Kanai Y. (2019) Erratum: "Propagation of maximally localized Wannier functions in real-time TDDFT" [J. Chem. Phys. 150, 194113 (2019)]. The Journal of Chemical Physics. 151: 139901
Yost DC, Kanai Y. (2019) Correction to "Electronic Excitation Dynamics in DNA under Proton and α-Particle Irradiation". Journal of the American Chemical Society
Yao Y, Yost DC, Kanai Y. (2019) K-Shell Core-Electron Excitations in Electronic Stopping of Protons in Water from First Principles. Physical Review Letters. 123: 066401
Shan B, Nayak A, Williams OF, et al. (2019) Excitation energy-dependent photocurrent switching in a single-molecule photodiode. Proceedings of the National Academy of Sciences of the United States of America
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