284 citations · 2.1k across the 37 of their papers we have counts for
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First-Principles Ultrafast Exciton Dynamics and Time-Domain Spectroscopies: Dark-Exciton Mediated Valley Depolarization in Monolayer WSe
Hsiao-Yi Chen, Marco Bernardi
Calculations combining first-principles electron-phonon (-ph) interactions with the Boltzmann equation enable studies of ultrafast carrier and phonon dynamics. However, in mater…
Efficient Mean-Field Simulation of Quantum Circuits Inspired by Density Functional Theory
Marco Bernardi
Exact simulations of quantum circuits (QCs) are currently limited to 50 qubits because the memory and computational cost required to store the QC wave function scale exponent…
Many-body theory of phonon-induced spin relaxation and decoherence
Jinsoo Park, Yao Luo, Jin-Jian Zhou +1
First-principles calculations enable accurate predictions of electronic interactions and dynamics. However, computing the electron spin dynamics remains challenging. The spin-orbit…
Predicting Phonon-Induced Spin Decoherence from First Principles: Colossal Spin Renormalization in Condensed Matter
Jinsoo Park, Jin-Jian Zhou, Yao Luo +1
Developing a microscopic understanding of spin decoherence is essential to advancing quantum technologies. Electron spin decoherence due to atomic vibrations (phonons) plays a spec…
Comparison of the canonical transformation and energy functional formalisms for ab initio calculations of self-localized polarons
Yao Luo, Benjamin K. Chang, Marco Bernardi
In materials with strong electron-phonon (e-ph) interactions, charge carriers can distort the surrounding lattice and become trapped, forming self-localized (small) polarons. We re…
Dark Matter Direct Detection in Materials with Spin-Orbit Coupling
Hsiao-Yi Chen, Andrea Mitridate, Tanner Trickle +3
Semiconductors with band gaps have been shown to be promising targets to search for sub-MeV mass dark matter (DM). In this paper we focus on a class of ma…