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The Journal of Chemical Physics|July 17, 2014
Theoretical oxidation state analysis of Ru-(bpy)3: influence of water solvation and Hubbard correction in first-principles calculationsKyle G Reeves, Yosuke KanaiScientific Reports|January 14, 2017
Electronic Excitation Dynamics in Liquid Water under Proton IrradiationKyle G Reeves, Yosuke KanaiThe Journal of Chemical Physics|August 26, 2025
Constrained nuclear-electronic orbital method for periodic density functional theory: Application to H2 chemisorption on Si(001) surfacesSongrui Liu, Jianhang Xu, Yosuke KanaiPhysical Chemistry Chemical Physics : PCCP|December 3, 2014
Electronic and optical properties of polypyridylruthenium derivatized polystyrenes: multi-level computational analysis of metallo-polymeric chromophore assembliesZoe Watson, Shahar Keinan, Yosuke KanaiJournal of the American Chemical Society|December 2, 2004
Surface reaction of alkynes and alkenes with H-Si(111): a density functional theory studyNoboru Takeuchi, Yosuke Kanai, Annabella SelloniThe Journal of Chemical Physics|October 27, 2016
Diffusion quantum Monte Carlo study of martensitic phase transition energetics: The case of phosphoreneKyle G Reeves, Yi Yao, Yosuke KanaiThe Journal of Chemical Physics|May 24, 2019
Propagation of maximally localized Wannier functions in real-time TDDFTDillon C Yost, Yi Yao, Yosuke KanaiPhysical Review Letters|March 31, 2023
Electronic Excitation Response of DNA to High-Energy Proton Radiation in WaterChristopher Shepard, Dillon C Yost, Yosuke KanaiThe Journal of Physical Chemistry Letters|December 13, 2019
First-Principles Modeling of Electronic Stopping in Complex Matter under Ion IrradiationDillon C Yost, Yi Yao, Yosuke KanaiThe Journal of Physical Chemistry Letters|August 18, 2015
Role of Charge Transfer in Water Diffusivity in Aqueous Ionic SolutionsYi Yao, Yosuke Kanai, Max L BerkowitzPageof 9