5 papers · 1 filter
Open-quantum-system theory of non-Markovian electron-phonon dynamics
Gabriele Riva, Jacopo Simoni, Yuan Ping
We present a non-Markovian open quantum dynamics formalism for the study of nonequilibrium electron-phonon interactions, based on a closed set of four coupled equations of motion f…
Photogalvanic currents from first-principles real-time density-matrix dynamics
Junting Yu, Andrew Grieder, Jacopo Simoni +3
The photogalvanic effect is the generation of a second-order direct current by illumination of a non-centrosymmetric material. In this work, we develop a first-principles real-time…
Spin non-Collinear Real-Time Time-Dependent Density-Functional Theory and Implementation in the Modern GPU-Accelerated INQ code
Jacopo Simoni, Xavier Andrade, Wuzhang Fang +4
Time-dependent density functional theory (TDDFT) is a theory that describes the time evolution of quantum mechanical many-electron systems under the influence of external time-depe…
First-principles open quantum dynamics for solids based on density-matrix formalism
Jacopo Simoni, Gabriele Riva, Yuan Ping
The theoretical description of materials' properties driven out of equilibrium has important consequences in various fields such as semiconductor spintronics, nonlinear optics, con…
Phonon-Assisted Radiative Lifetimes and Exciton Dynamics from First Principles
Chunhao Guo, Gabriele Riva, Jacopo Simoni +2
Exciton-phonon interactions play a fundamental role in phonon-assisted radiative recombination and exciton dynamics in solids. In this work, we present a first-principles framework…