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Ruiyi Zhou
Ruiyi Zhou
Adresse e-mail validée de live.unc.edu - Page d'accueil
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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
352021
Dynamical transition orbitals: A particle–hole description in real-time TDDFT dynamics
R Zhou, Y Kanai
The Journal of Chemical Physics 154 (5), 2021
132021
Complete OSV-MP2 analytical gradient theory for molecular structure and dynamics simulations
R Zhou, Q Liang, J Yang
Journal of Chemical Theory and Computation 16 (1), 196-210, 2019
132019
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
92024
First-principles approach for coupled quantum dynamics of electrons and protons in heterogeneous systems
J Xu, R Zhou, V Blum, TE Li, S Hammes-Schiffer, Y Kanai
Physical Review Letters 131 (23), 238002, 2023
92023
First-principles demonstration of nonadiabatic thouless pumping of electrons in a molecular system
R Zhou, DC Yost, Y Kanai
The Journal of Physical Chemistry Letters 12 (19), 4496-4503, 2021
92021
Nuclear–electronic orbital approach to quantization of protons in periodic electronic structure calculations
J Xu, R Zhou, Z Tao, C Malbon, V Blum, S Hammes-Schiffer, Y Kanai
The Journal of Chemical Physics 156 (22), 2022
62022
Molecular control of floquet topological phase in non-adiabatic Thouless pumping
R Zhou, Y Kanai
The Journal of Physical Chemistry Letters 14 (36), 8205-8212, 2023
42023
All-Electron BSE@ GW Method with Numeric Atom-Centered Orbitals for Extended Periodic Systems
R Zhou, Y Yao, V Blum, X Ren, Y Kanai
Journal of Chemical Theory and Computation, 2025
1*2025
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
12024
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
12024
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
Lagrangian formulation of nuclear–electronic orbital Ehrenfest dynamics with real-time TDDFT for extended periodic systems
J Xu, R Zhou, TE Li, S Hammes-Schiffer, Y Kanai
The Journal of Chemical Physics 161 (19), 2024
2024
First-Principles Theoretical Study of Non-equilibrium Electron Dynamics and Electronic Excitation
R Zhou
The University of North Carolina at Chapel Hill, 2024
2024
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