36 citations · 130 across the 28 of their papers we have counts for
7 papers · 1 filter
Spectral signatures of spin textures and the emergence of a pseudogap
Matteo Quinzi, Andrea Pintus, Tommaso Chiarotti +2
Periodic solids with strongly interacting electrons display phenomena -- from Mott localization to high-temperature superconductivity -- that escape conventional band theory. Effor…
A Unified Geometric Framework for Understanding Collider Event Manifolds
Tianji Cai, Hancheng Li
By defining notions of similarity between collider events, metrics give rise to event manifolds with nontrivial geometric structure. Understanding these structures and their relati…
Assessing the magnetic states and the accuracy of first-principles Hubbard corrections for the battery cathode LiCoO ()
Valentina Sanella, Cristiano Malica, Alberto Carta +4
LiCoO is a prototypical layered cathode material for Li-ion batteries, yet its accurate description from first principles remains challenging because of self-interaction er…
Randomized Block Davidson Eigensolvers for Plane-Wave Density-Functional Theory
Moritz Gubler, Taejun Park, Augustin Bussy +4
Iterative diagonalization is the dominant cost of plane-wave density-functional theory (DFT), with search-space orthogonalization scaling particularly quickly with problem size and…
DFT+U+V is equivalent to DFT+U with density-dependent hybridized projectors
Edward Linscott, Alberto Carta, Nicola Marzari
Hubbard-corrected density-functional theory (DFT+) is a popular tool for first-principles modeling of materials with localized or electrons, but its on-site corrections…
Predicting challenging phase transitions with Bayesian active learning
Lorenzo Bastonero, Gabriel Joalland, Chiara Cignarella +2
Materials underpin modern technologies, from energy harvesting, storage, and conversion to information and communication technologies. Their functionality is often governed by the…
Phonon collisional broadening and heat transport beyond the Boltzmann equation
Enrico Di Lucente, Nicola Marzari, Michele Simoncelli
In crystals, macroscopic technological properties such as thermal conductivity originate from the microscopic drift and scattering of phonons, commonly described by the Boltzmann T…