Bulletin of the American Physical Society
APS March Meeting 2023
Las Vegas, Nevada (March 5-10)
Virtual (March 20-22); Time Zone: Pacific Time
Session K60: Extreme Scale Computational Science Discovery in Fluid Dynamics and Related Disciplines II
3:00 PM–6:00 PM,
Tuesday, March 7, 2023
Room: Room 419
Sponsoring
Unit:
DCOMP
Chair: Daniel Livescu, LANL; Pui-Kuen Yeung, Georgia Institute of Technology
Abstract: K60.00010 : Towards Exascale Hybrid Electronic-Structure Theory Calculations beyond 10,000 Atoms*
5:12 PM–5:24 PM
Presenter:
Sebastian Kokott
(Fritz Haber Institute of the Max Planck)
Authors:
Sebastian Kokott
(Fritz Haber Institute of the Max Planck)
Florian Merz
(Lenovo HPC Innovation Center, Stuttgart, Germany)
Christian Carbogno
(Fritz Haber Institute of the Max Planck Society)
Andreas Marek
(Max Planck Computing and Data Facility, Garching, Germany)
Yi Yao
(The NOMAD Laboratory at the Fritz Haber Institute of the MPG)
Markus Rampp
(Max Planck Computing and Data Facility, Garching, Germany)
Volker Blum
(Duke University)
Matthias Scheffler
(The NOMAD Laboratory at the Fritz Haber Institute of the MPG)
[1] S. V. Levchenko et al., Comp. Phys. Comm. 192, 60 (2015).
[2] P. Kus et al., Par. Comp. 85, 167 (2019).
*This project was supported by the NOMAD CoE (EU Horizon 2020 Grant 951786).
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