Madrid (Spain), 2024, 27 August
Simulations of out–of–equilibrium phenomena using the Yambo project: this is the title of the keynote talk held by Andrea Marini at the PHYSHPC 2024 (August 27, 2024, Madrid, Spain).
PHYSHPC was an interdisciplinary workshop hosted by Euro-Par 2024, the prime European conference covering all aspects of parallel and distributed processing. The workshop aimed to create a meeting point between the communities of physicists (and, in general, of researchers from the natural sciences) and computer scientists who deal with computational problems and high-performance computing.
In his talk Andrea Marini discussed how the physics investigated in ultra–fast Pump & Probe experiments can connect Lumi and FLASH providing an unprecedent insight in the elemental processes occurring at the microscopic atomic scale on a ultra–short time–scale. He reviewed the novel Ab Initio Non Equilibrium Method (Ai–NEGF) and discussed how HPC resources can help in investigating regimes of matter and of theory, almost impossible to access using paper and pencil or a standard, even if large, Beowulf cluster.
He described the actual implementation of Ai–NEGF in the Yambo code discussing some recent numerical and methodological developments that have been implemented towards to exploitation of next generation HPC supercomputers. In particular, he presented the Yambo hybrid parallelization and also discussed the future plans of the project and its potential use as tool for science dissemination, also in third world countries.
