MaX CoE Workshop - Computational Materials Design at the Exascale: porting community codes, challenges and success cases
Wednesday, March 24, 2021 2:00 PM to 3:20 PM · 1 hr. 20 min. (Africa/Abidjan)
Science Day
Session Chair: Andrea Ferretti
Information
- Andrea Ferretti - Welcome & Introduction
- Nicola Marzari - Materials Design at the Intersection of High-Throughput and High-Performance Computing
- Stefano Baroni - Challenges and Success towards the Exascale: the perspective of Quantum ESPRESSO, a large community code
- Joost VandeVondele - Software engineering towards Exascale: domain specific libraries, communication optimality, and machine learning
- Daniele Verano - Accelerating GW and many-body perturbation theory using GPUs: yambo hunting for excitonic insulators
- Uliana Alekseeva - Parallelization and optimization of the FLEUR code: new possibilities for all-electron Density Functional Theory
- Pablo Ordejon - HPC-enabled very large scale quantum simulations in materials with SIESTA
10 minutes Live Q&A with the Max CoE Workshop keynote speakers