We introduce turboMagnon, a module designed to simulate spin-wave spectra in solid-state materials.
turboMagnon, one of the latest addition to Quantum ESPRESSO, is a code based on the noncollinear spin-polarized framework and the self-consistent inclusion of spin-orbit coupling...
Dear Quantum ESPRESSO community,
we are pleased to announce the “Advanced Quantum ESPRESSO tutorial: Hubbard and Koopmans functionals from linear response”.
Dates: 9-11 November 2022
Format: Online
Registration fee: (free of charge)
Deadline for applications: 1 October 2022
Website of the event: https://sites.google.com/view/hubbard-koopmans
The 7.1 version of Quantum ESPRESSO is available for download.
The complete release notes can be found inside the Doc directory of the new release.
In the last developers’ meeting, held online on June 15, mid July has been chosen as tentative date for the next stable QE release
In the last two weeks, the Quantum ESPRESSO team has been head down for several days in the Nvidia/Cineca GPU Hackathon. A long marathon in which our developers worked tirelessly to accelerate QE on GPUs.
An ab initio molecular dynamics investigation of the solvent effect (water) on the structural parameters, 195Pt NMR spin–spin coupling constants (SSCCs) and chemical shifts of a series of pyridonate-bridged...
M.H. Sahafi, M. Mahdavi
In this study, the vibrational and lattice thermal behaviours of ThC are investigated through the density functional theory. Thermal characteristics of ThC are studied under the novel models based on the Debye–Gruneisen and full quasi-harmonic approximation....