M.H. Sahafi, M. Mahdavi
In this study, the lattice dynamics and thermal characteristics of thorium dioxide are calculated using the first-principle calculations based on the density functional theory (DFT). The Gibbs free energy, isothermal bulk moduli, Debye temperature, thermal Grüneisen...
M.H. Sahafi, M. Mahdavi
In the present study, the density functional theory and the ab initio method in projector augmented wave (PAW) pseudopotentials framework have been used to calculate the phonon spectrum, structural, elastic...
Federico Grasselli1,4, Lars Stixrude 2 & Stefano Baroni 1,3✉
The impact of the inner structure and thermal history of planets on their observable features, such as luminosity or magnetic field, crucially depends on the poorly known heat and charge transport properties of their internal layers....
A software developer position in the field of electronic structure is available at IOM-CNR, funded by the MaX Centre of Excellence for Supercomputing Applications. The position is for one year, renewable for another year. Requirements include...
The 2020 QE developers’ meeting was held on January 16, in Giambiagi room (Adriatico building), ICTP Trieste. Program:
SISSA, the International School for Advanced Studies in Trieste, in collaboration with the EU MaX Centre of Excellence for Supercomputing Applications , the Quantum ESPRESSO Foundation, and the Eurotech and...
The 2020 Quantum ESPRESSO developers’ meeting will be held on January 16, in Giambiagi room (Adriatico building), ICTP Trieste. Tentative program: