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Presentation . 2023
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Other literature type . 2023
License: CC BY
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Presentation . 2023
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TREX High Performance Software Solutions for Quantum Mechanical Simulations at the Exascale

descriptionPublicationkeyboard_double_arrow_right Presentation , Other literature type 09 Feb 2023 English Publisher:ZenodoFunded by:EC | TREX
Authors: Filippi, Claudia; Alavi, Ali; Pernal, Kasia; Nakano, Kosuke; Posenitskiy, Evgeny; Scemama, Anthony; Pittonet, Sara; +5 Authors

doi: 10.5281/zenodo.7624691 , 10.5281/zenodo.7624690

TREX High Performance Software Solutions for Quantum Mechanical Simulations at the Exascale

Abstract

Here is the presentation from the TREX Webinar on "High Performance Software Solutions for Quantum Mechanical Simulations at the Exascale” that took place on 8 February 2023. This webinar walked participants through TREX's six different quantum chemistry codes and the open-source libraries optimized for upcoming Exascale systems, which are ready to be integrated into quantum chemical codes that will benefit from the Exascale transition. You can find the recording on the event page: https://trex-coe.eu/events/trex-high-performance-software-solutions-quantum-mechanical-simulations-exascale

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Keywords

NECI, Quantum Monte Carlo, QMCkl library, Quantum Package, Quantum Mechanical Simulations, CHAMP, High Performance Computing, TurboRVB, exascale, GAMMCOR, TREX I/O, QMC=CHEM, Software

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selected citations
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This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
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popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
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