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cond-mat.mtrl-sci2026
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…
cond-mat.mtrl-sci2025
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…
cond-mat.mtrl-sci2025
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…