HPC libraries for CP2K and other electronic structure codes

CSCS(si apre in una nuova finestra) is working on several HPC libraries which can be adopted by electronic structure codes in order to run them efficiently on current and next-generation hybrid architectures (both NVIDIA and AMD).
Next 24th of June 2020 at 11 AM (CEST), the 4th Webinar of a series presenting the most recent developments of the MAX flagship codes entitled "HPC libraries for CP2K and other electronic structure codes"(si apre in una nuova finestra) will be held, featuring the www.max-centre.eu/codes-max/cp2k(CP2K code).
REGISTER NOW!(si apre in una nuova finestra)
The webinar will provide an accurate overview of the HPC libraries developed at CSCS in order to accelerate electronic structure code such as CP2K and Quantum ESPRESSO. These libraries are (1) DBCSR, (2) COSMA, (3) SpFFT and (4) SIRIUS.
By participating, you will be able to:
- Learn the overview of HPC problems arising from large scale electronic structure calculations in localised basis (CP2K) and plane-wave basis (Quantum ESPRESSO),
- Discover the HPC libraries help to accelerate electronic structure code such as CP2K and Quantum ESPRESSO,
- Cultivate synergies and network across the MaX flagship code experts.
Visit the official webinar page(si apre in una nuova finestra) to register and see the exciting agenda prepared for its attendees.
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About MaX
MaX - Materials design at the Exascale has received funding from the European Union's Horizon 2020 under Grant Agreement n. 824143. Led by CNR (Italy), the MaX consortium partners include SISSA (Italy), ICN2 (Spain), JUELICH (Germany), CEA (France), EPFL (Switzerland), Universiteit Gent (Belgium), CINECA (Italy), BSC (Spain), ETHZurich (Switzerland), E4 (Italy), ARM (United Kingdom), ICTP (Italy), Trust-IT (Italy).
www.max-centre.eu(si apre in una nuova finestra) I www.linkedin.com/company/max-centre(si apre in una nuova finestra) I @max_center2(si apre in una nuova finestra)
Parole chiave
High-Performance Computing (HPC), Materials design, materials modelling, materials simulation, High Throughput Computing (HTC), materials science, data analytics, computational algorithms, HPC libraries