activity
20242026
most citedElectrostatic interactions in atomistic and machine-learned potentials for polar materials

3 citations · 3 across the 4 of their papers we have counts for

collaborators

10 papers

cond-mat.mtrl-sci2026

Thermal transport in crystals: from the quantum Dyson equation to mesoscopic phonon hydrodynamics

Enrico Di Lucente, Michele Simoncelli, Nicola Marzari

Thermal transport in dielectric, non-magnetic crystals is mediated by quantized lattice vibrations, which drift and interact when driven out of equilibrium by a temperature gradien…

cond-mat.mtrl-sci2025

Quasiparticle effects and strong excitonic features in exfoliable 1D semiconducting materials

Simone Grillo, Chiara Cignarella, Friedhelm Bechstedt +5

We report a comprehensive first-principles study of the electronic and optical properties of recently identified exfoliable one-dimensional semiconducting materials, focusing on ch…

cond-mat.mtrl-sci2025

Exploring the magnetic landscape of easily-exfoliable two-dimensional materials

Fatemeh Haddadi, Davide Campi, Flaviano dos Santos +4

Magnetic materials often exhibit complex energy landscapes with multiple local minima, each corresponding to a self-consistent electronic structure solution. Finding the global min…

cond-mat.mtrl-sci2025

Extreme anharmonicity and thermal contraction of 1D wires

Chiara Cignarella, Lorenzo Bastonero, Lorenzo Monacelli +1

Ultrathin nanowires could play a central role in next-generation downscaled electronics. Here, we explore some of the most promising candidates identified from previous high-throug…

physics.comp-ph2025

Vortices and backflow in hydrodynamic heat transport

Enrico Di Lucente, Francesco Libbi, Nicola Marzari

Recent experiments have provided compelling and renewed interest in phonon hydrodynamics. At variance with ordinary diffusive heat transport, this regime is primarily governed by m…

cond-mat.mtrl-sci2025

Spin fluctuations steer the electronic behavior in the FeSb skutterudite

Enrico Di Lucente, Flaviano José dos Santos, Nicola Marzari

Skutterudites are promising materials for thermoelectric and spintronics applications. Here we explore spin fluctuations in the FeSb skutterudite and their effect on its elec…