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Ruiyi Zhou
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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
272021
Dynamical transition orbitals: A particle–hole description in real-time TDDFT dynamics
R Zhou, Y Kanai
The Journal of Chemical Physics 154 (5), 2021
112021
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
92019
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
42021
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
32022
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
22023
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
22023
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, 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
2024
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Articles 1–9