| Simulating electronic excitation and dynamics with real-time propagation approach to TDDFT within plane-wave pseudopotential formulation C Shepard, R Zhou, DC Yost, Y Yao, Y Kanai The Journal of Chemical Physics 155 (10), 2021 | 35 | 2021 |
| Electronic excitation response of DNA to high-energy proton radiation in water C Shepard, DC Yost, Y Kanai Physical Review Letters 130 (11), 118401, 2023 | 24 | 2023 |
| Real-time time-dependent density functional theory for simulating nonequilibrium electron dynamics J Xu, TE Carney, R Zhou, C Shepard, Y Kanai Journal of the American Chemical Society 146 (8), 5011-5029, 2024 | 9 | 2024 |
| Ion-Type Dependence of DNA Electronic Excitation in Water under Proton, α-Particle, and Carbon Ion Irradiation: A First-Principles Simulation Study C Shepard, Y Kanai The Journal of Physical Chemistry B 127 (50), 10700-10709, 2023 | 5 | 2023 |
| Nonlinear electronic excitation in water under proton irradiation: a first principles study C Shepard, Y Kanai Physical Chemistry Chemical Physics 24 (9), 5598-5603, 2022 | 4 | 2022 |
| Efficient exact exchange using Wannier functions and other related developments in planewave-pseudopotential implementation of RT-TDDFT C Shepard, R Zhou, J Bost, TE Carney, Y Yao, Y Kanai The Journal of Chemical Physics 161 (2), 2024 | 1 | 2024 |
| Theory of moment propagation for quantum dynamics in single-particle description NJ Boyer, C Shepard, R Zhou, J Xu, Y Kanai The Journal of Chemical Physics 160 (6), 2024 | 1 | 2024 |
| Machine-Learning Electron Dynamics with Moment Propagation Theory: Application to Optical Absorption Spectrum Computation Using Real-Time TDDFT NJ Boyer, C Shepard, R Zhou, J Xu, Y Kanai Journal of Chemical Theory and Computation, 2024 | | 2024 |
| Hot carrier transfer from plasmon decay in Ag20 at H–Si (111) surface: real-time TDDFT simulation in Wannier gauge JL Bost, C Shepard, Y Kanai Journal of Physics: Condensed Matter 37 (4), 045502, 2024 | | 2024 |
| First Principles Study of Nonequilibrium Electron Dynamics in Complex Extended Systems Using Time-Dependent Maximally Localized Wannier Functions C Shepard The University of North Carolina at Chapel Hill, 2024 | | 2024 |
| Plasmon Excitation and Decay in Metallic Nano-particle at Semiconductor Surface: RT-TDDFT simulation J Bost, C Shepard, Y Kanai APS March Meeting Abstracts 2023, M60. 005, 2023 | | 2023 |
| Using Real-time TDDFT in the Plane-wave Pseudopotential Formulation to Study High Energy Ion Irradiation in solvated DNA C Shepard, Y Kanai, D Yost APS March Meeting Abstracts 2023, M60. 009, 2023 | | 2023 |
| Accelerating Hybrid XC in RT-TDDFT using Maximally-localized Wannier functions T Carney, C Shepard, Y Kanai APS March Meeting Abstracts 2023, M60. 006, 2023 | | 2023 |
| Massively-Parallel Real-time TDDFT using Plane-wave Pseudopotential Formulation: Application to Studying Electronic Excitation in Solvated DNA. C Shepard, R Zhou, D Yost, Y Yao, Y Kanai APS March Meeting Abstracts 2022, M48. 004, 2022 | | 2022 |
| Excitation Dynamics in Water under Proton Irradiation: Time-dependent Maximally-Localized Wannier Function Approach C Shepard, D Yost, Y Yao, Y Kanai Bulletin of the American Physical Society 65, 2020 | | 2020 |
| Massively-Parallel Real-Time TDDFT Simulations of Electronic Stopping in Solvated DNA under Proton Irradiation D Yost, Y Yao, C Shepard, Y Kanai Bulletin of the American Physical Society 65, 2020 | | 2020 |
| Examining Electronic Excitations in Liquid Water under Proton and Photon Irradiation C Shepard, D Yost, Y Yao, Y Kanai APS March Meeting Abstracts 2019, L16. 010, 2019 | | 2019 |
Yosuke KanaiUniversity of North Carolina at Chapel HillVerified email at unc.edu
