By using a combination of cepstral-analysis and Bayesian extrapolation techniques, a team of researchers from SISSA and CNR-IOM DEMOCRITOS compute the heat conductivity of extended systems, leveraging energy-density, rather than energy-current, fluctuations.
Organized by OpenACC Organization, the webinar will showcase Quantum ESPRESSO (QE), an open-source distribution of software code packages for materials simulation and modeling at the nanoscale.
Supported by MAX, the school aims to make cutting-edge research and insights accessible to a wide audience.
E. Drigo and S. Baroni
A team of researchers treat thermo-polarization effects in insulating fluids with standard equilibrium thermodynamics and propose a protocol to compute the Seebeck coefficient and estimate the resulting statistical accuracy.
The EuroHPC JU supercomputer has been unveiled at the Barcelona Supercomputing Centre, opening the door to a new era of scientific breakthroughs.
The novel e-learning platform Lhumos enters the material sciences realm to ease knowledge sharing...
The Quantum ESPRESSO suite has been optimized to fully exploit the newly available computational architectures, paving the route for further breakthroughs in molecular and material sciences.
M. Zanfrognini , A. Plaud , I. Stenger , F. Fossard , L. Sponza , L. Schué , F. Paleari , E...
Supported and organized by the EuroCC National Competence Center Sweden (ENCCS) and the Centre of Excellence for materials at the exascale (MaX), the workshop provides an overview of the fundamental concepts for molecular and materials modelling on HPC.
MaX School: Picking Flowers - a Hands-on FLEUR Tutorial We are very happy to invite you to the 2024...
PWTK-2024: An Online Tutorial organized by MaX - Centre of Excellence in collaboration with NCC...
Machine learning methods are revolutionizing the way we approach materials design, making an impact...
Organized by MaX, this tutorial is targeted at people already familiar with running simulations using Quantum ESPRESSO and Yambo .