Efficient materials modelling on HPC with QUANTUM ESPRESSO, SIESTA and Yambo (Online)

Online

This workshop will give a broad overview of important fundamental concepts for molecular and materials modelling on HPC, with a focus on three of the most modern codes for electronic structure calculations (QUANTUM ESPRESSO, SIESTA and Yambo). Participants will put their new knowledge to the test on the Leonardo EuroHPC JU supercomputer (https://leonardo-supercomputer.cineca.eu/hpc-system/) with theory sections and practical demonstrations and hands-on exercises.

Free

AI for Science Bootcamp

Online

The AI for Science Bootcamp provides a step-by-step overview of the fundamentals of deep neural networks related to scientific computing and physical systems defined by differential equations.