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
Registered attendees
AT
Adem Tekin
Board member of UHEM
National Center for HPC (UHEM)
Adolfo Poma
Assistant Professor
Institute of Fundamental Technological Research Polish Academy of Sciences
AG
Alberto Garcia
Staff Researcher
ICMAB-CSIC
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