M. Calandra

works on

density functional theory 1 electronic structure 1 high-performance computing 1 open-source software 1 plane-wave methods 1 pseudopotentials 1

From the 1 of 135 linked papers with an AI index.

activity

19982025

most citedQuantum ESPRESSO: a modular and open-source software project for quantum simulations of materials

29.3k citations · 47.2k across the 133 of their papers we have counts for

collaborators

Showing 2004Show all

2 papers · 1 filter

cond-mat.mtrl-sci2004★ 95 cited

Density functional theory description of hole-trapping in SiO $_{2}$ : a successful self-interaction-corrected approach

Mayeul d'Avezac, Matteo Calandra, Francesco Mauri

We present a self-interaction-corrected (SIC) density-functional-theory (DFT) approach for the description of systems with an unpaired electron or hole such as spin 1/2 defect-cent…

cond-mat.supr-con2004★ 59 cited

Electron-phonon coupling and phonon self-energy in MgB $_{2}$ : do we really understand MgB $_{2}$ Raman spectra ?

Matteo Calandra, Francesco Mauri

We consider a model Hamiltonian fitted on the ab-initio band structure to describe the electron-phonon coupling between the electronic $σ -$ bands and the phonon E $_{2 g}$ mode in MgB…

Density functional theory description of hole-trapping in SiO2​: a successful self-interaction-corrected approach

Electron-phonon coupling and phonon self-energy in MgB2​: do we really understand MgB2​ Raman spectra ?

Density functional theory description of hole-trapping in SiO $_{2}$ : a successful self-interaction-corrected approach

Electron-phonon coupling and phonon self-energy in MgB $_{2}$ : do we really understand MgB $_{2}$ Raman spectra ?