February 19, 2024
Hydrodynamic finite-size scaling of the thermal conductivity in glasses
In the past few years, the theory of thermal transport in amorphous solids has been substantially...
February 19, 2024
Seebeck Coefficient of Liquid Water from Equilibrium Molecular Dynamics
The application of a temperature gradient to an extended system generates an electromotive force...
February 19, 2024
Distinguishing different stackings in layered materials via luminescence spectroscopy
Despite its simple crystal structure, layered boron nitride features a surprisingly complex variety...
February 19, 2024
First-principles study of luminescence in hexagonal boron nitride single layer: Exciton-phonon coupling and the role of substrate
Hexagonal boron nitride (hBN) is a wide band gap material with both strong excitonic light emission...
February 19, 2024
Magnon-phonon interactions enhance the gap at the Dirac point in the spin-wave spectra of CrI3 two-dimensional magnets
Recent neutron-diffraction experiments in honeycomb CrI3 quasi-2D ferromagnets have evinced the...
February 19, 2024
Strong Coupling of Coherent Phonons to Excitons in Semiconducting Monolayer MoTe2
The coupling of the electron system to lattice vibrations and their time-dependent control and...
February 19, 2024
Heat conductivity from energy-density fluctuations
We present a method, based on the classical Green-Kubo theory of linear response, to compute the...
February 19, 2024
koopmans: An Open-Source Package for Accurately and Efficiently Predicting Spectral Properties with Koopmans Functionals
Over the past decade we have developed Koopmans functionals, a computationally efficient approach...
February 19, 2024
Self-interaction and transport of solvated electrons in molten salts
The dynamics of (few) electrons dissolved in an ionic fluid—as when a small amount of metal is...
February 19, 2024
Meet the MAX Centre of Excellence (Phase 3, 2023-2026)
Meet the MAX Centre of Excellence (Phase 3, 2023-2026)
February 19, 2024
MAX CoE meets in Barcelona (October 2023): Charting the Exascale Computing Future
MAX CoE meets in Barcelona (October 2023): Charting the Exascale Computing Future
February 19, 2024
QUANTUM ESPRESSO: One Further Step toward the Exascale
We review the status of the Quantum ESPRESSO software suite for electronic-structure calculations...