Nov 27 – 28, 2023 ONLINE
Europe/Lisbon timezone

Scientific Topics

The meeting program will cover several fundamental topics in the field employing different theoretical methodologies which are best fitted for the properties to be probed and implemented in the Quantum Espresso software package:

  • Phonon frequency
  • Spectroscopic properties
  • Electron-phonon coupling
  • Hubbard U and magnetism
  • Berry phase polarization
  • Molecular dynamics and potencial energy surfaces
  • Electrochemistry
  • GIPAW: NMR and hyperfine interactions