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Nano Letters
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September 3, 2015
Role of Surface Termination on Hot Electron Relaxation in Silicon Quantum Dots: A First-Principles Dynamics Simulation Study
Kyle G Reeves, André Schleife, Alfredo A Correa, et al.
Journal of Chemical Theory and Computation
|
February 9, 2022
All-Electron BSE@<i>GW</i> Method for <i>K</i>-Edge Core Electron Excitation Energies
Yi Yao, Dorothea Golze, Patrick Rinke, et al.
Journal of Chemical Theory and Computation
|
January 14, 2025
All-Electron BSE@GW Method with Numeric Atom-Centered Orbitals for Extended Periodic Systems
Ruiyi Zhou, Yi Yao, Volker Blum, et al.
The Journal of Chemical Physics
|
December 20, 2012
Plane-wave pseudopotential implementation of explicit integrators for time-dependent Kohn-Sham equations in large-scale simulations
André Schleife, Erik W Draeger, Yosuke Kanai, et al.
The Journal of Chemical Physics
|
June 23, 2014
Modeling time-coincident ultrafast electron transfer and solvation processes at molecule-semiconductor interfaces
Lesheng Li, Paul G Giokas, Yosuke Kanai, et al.
The Journal of Chemical Physics
|
October 23, 2021
All-electron real-time and imaginary-time time-dependent density functional theory within a numeric atom-centered basis function framework
Joscha Hekele, Yi Yao, Yosuke Kanai, et al.
The Journal of Chemical Physics
|
September 16, 2021
Simulating electronic excitation and dynamics with real-time propagation approach to TDDFT within plane-wave pseudopotential formulation
Christopher Shepard, Ruiyi Zhou, Dillon C Yost, et al.
Journal of the American Chemical Society
|
February 16, 2024
Real-Time Time-Dependent Density Functional Theory for Simulating Nonequilibrium Electron Dynamics
Jianhang Xu, Thomas E Carney, Ruiyi Zhou, et al.
The Journal of Chemical Physics
|
February 13, 2024
Theory of moment propagation for quantum dynamics in single-particle description
Nicholas J Boyer, Christopher Shepard, Ruiyi Zhou, et al.
Journal of Chemical Theory and Computation
|
December 27, 2024
Machine-Learning Electron Dynamics with Moment Propagation Theory: Application to Optical Absorption Spectrum Computation Using Real-Time TDDFT
Nicholas J Boyer, Christopher Shepard, Ruiyi Zhou, et al.
Page
of 7
Search research articles
Search
Showing results (41-50 of 64) with videos related to
Sort By:
Page
of 7
Nano Letters
|
September 3, 2015
Role of Surface Termination on Hot Electron Relaxation in Silicon Quantum Dots: A First-Principles Dynamics Simulation Study
Kyle G Reeves, André Schleife, Alfredo A Correa, et al.
Journal of Chemical Theory and Computation
|
February 9, 2022
All-Electron BSE@<i>GW</i> Method for <i>K</i>-Edge Core Electron Excitation Energies
Yi Yao, Dorothea Golze, Patrick Rinke, et al.
Journal of Chemical Theory and Computation
|
January 14, 2025
All-Electron BSE@GW Method with Numeric Atom-Centered Orbitals for Extended Periodic Systems
Ruiyi Zhou, Yi Yao, Volker Blum, et al.
The Journal of Chemical Physics
|
December 20, 2012
Plane-wave pseudopotential implementation of explicit integrators for time-dependent Kohn-Sham equations in large-scale simulations
André Schleife, Erik W Draeger, Yosuke Kanai, et al.
The Journal of Chemical Physics
|
June 23, 2014
Modeling time-coincident ultrafast electron transfer and solvation processes at molecule-semiconductor interfaces
Lesheng Li, Paul G Giokas, Yosuke Kanai, et al.
The Journal of Chemical Physics
|
October 23, 2021
All-electron real-time and imaginary-time time-dependent density functional theory within a numeric atom-centered basis function framework
Joscha Hekele, Yi Yao, Yosuke Kanai, et al.
The Journal of Chemical Physics
|
September 16, 2021
Simulating electronic excitation and dynamics with real-time propagation approach to TDDFT within plane-wave pseudopotential formulation
Christopher Shepard, Ruiyi Zhou, Dillon C Yost, et al.
Journal of the American Chemical Society
|
February 16, 2024
Real-Time Time-Dependent Density Functional Theory for Simulating Nonequilibrium Electron Dynamics
Jianhang Xu, Thomas E Carney, Ruiyi Zhou, et al.
The Journal of Chemical Physics
|
February 13, 2024
Theory of moment propagation for quantum dynamics in single-particle description
Nicholas J Boyer, Christopher Shepard, Ruiyi Zhou, et al.
Journal of Chemical Theory and Computation
|
December 27, 2024
Machine-Learning Electron Dynamics with Moment Propagation Theory: Application to Optical Absorption Spectrum Computation Using Real-Time TDDFT
Nicholas J Boyer, Christopher Shepard, Ruiyi Zhou, et al.
Page
of 7