From the 1 of 200 linked papers with an AI index.
29.3k citations · 78.3k across the 197 of their papers we have counts for
200 papers
Strong correlations and local self-energies from on-site ensembles
Alberto Carta, Hugo U. R. Strand, Michael Schüler +1
Addressing the many-body electronic-structure problem is a central goal of modern condensed-matter physics. Paramagnetic Mott insulators, in particular, have long represented a cha…
Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange
Matthew L. Evans, Johan Bergsma, Andrius Merkys +56
The Open Databases Integration for Materials Design (OPTIMADE) application programming interface (API) empowers users with holistic access to a growing federation of databases, enh…
Searching for the thinnest metallic wire
Chiara Cignarella, Davide Campi, Nicola Marzari
One-dimensional materials have gained much attention in the last decades: from carbon nanotubes to ultrathin nanowires, to few-atom atomic chains, these can all display unique elec…
The Wannier Function Software Ecosystem for Materials Simulations
Antimo Marrazzo, Sophie Beck, Elena R. Margine +7
Over the last two decades, following the early developments on maximally localized Wannier functions, an ecosystem of electronic-structure simulation techniques and software packag…
On Green's function embedding using sum-over-pole representations
Andrea Ferretti, Tommaso Chiarotti, Nicola Marzari
In Green's function theory, the total energy of an interacting many-electron system can be expressed in a variational form using the Klein or Luttinger-Ward functionals. Green's fu…
Automated all-functionals infrared and Raman spectra
Lorenzo Bastonero, Nicola Marzari
Infrared and Raman spectroscopies are ubiquitous techniques employed in many experimental laboratories, thanks to their fast and non-destructive nature able to capture materials' f…