3 papers
cond-mat.mtrl-sci2025
QE-CONVERSE: An open-source package for the Quantum ESPRESSO distribution to compute non-perturbatively orbital magnetization from first principles, including NMR chemical shifts and EPR parameters
Simone Fioccola, Luigi Giacomazzi, Davide Ceresoli +3
Orbital magnetization, a key property arising from the orbital motion of electrons, plays a crucial role in determining the magnetic behavior of molecules and solids. Despite its s…
cond-mat.mtrl-sci2018
Localization properties of vibrational modes in -Si3N4
Luigi Giacomazzi
We present a first-principles investigation of the localization properties of vibrational modes in amorphous silicon nitride (-SiN). Our investigation further confirms t…
cond-mat2002
Dynamics of liquid He-4 in confined geometries from Time-Dependent Density Functional calculations
Luigi Giacomazzi, Flavio Toigo, Francesco Ancilotto
We present numerical results obtained from Time-Dependent Density Functional calculations of the dynamics of liquid He-4 in different environments characterized by geometrical conf…