436 citations · 2k across the 44 of their papers we have counts for
7 papers · 1 filter
Simulating the electronic structure of spin defects on quantum computers
Benchen Huang, Marco Govoni, Giulia Galli
We present calculations of the ground and excited state energies of spin defects in solids carried out on a quantum computer, using a hybrid classical/quantum protocol. We focus on…
Combined first-principles calculations of electron-electron and electron-phonon self-energies in condensed systems
Han Yang, Marco Govoni, Arpan Kundu +1
We present a method to efficiently combine the computation of electron-electron and electron-phonon self-energies, which enables the evaluation of electron-phonon coupling at the $…
Photoluminescence spectra of point defects in semiconductors: validation of first principles calculations
Yu Jin, Marco Govoni, Gary Wolfowicz +4
Optically and magnetically active point defects in semiconductors are interesting platforms for the development of solid-state quantum technologies. Their optical properties are us…
Quantum Embedding Theories to Simulate Condensed Systems on Quantum Computers
Christian Vorwerk, Nan Sheng, Marco Govoni +2
Quantum computers hold promise to improve the efficiency of quantum simulations of materials and to enable the investigation of systems and properties more complex than tractable a…
Quantum vibronic effects on the electronic properties of solid and molecular carbon
Arpan Kundu, Marco Govoni, Han Yang +3
We study the effect of quantum vibronic coupling on the electronic properties of carbon allotropes, including molecules and solids, by combining path integral first principles mole…
OPTIMADE, an API for exchanging materials data
Casper W. Andersen, Rickard Armiento, Evgeny Blokhin +53
The Open Databases Integration for Materials Design (OPTIMADE) consortium has designed a universal application programming interface (API) to make materials databases accessible an…