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TREX at TERATEC 2022: Enabling the community codes for stochastic quantum chemical simulations at he exascale

Authors: Axel Auweter; Michele Casula; William Jalby; Sara Pittonet; Jean-Marc Denis; Romain Dolbeau; Marie-Ann Garigue; +1 Authors

TREX at TERATEC 2022: Enabling the community codes for stochastic quantum chemical simulations at he exascale

Abstract

The poster was presented at Teratec 2022, June 14-15. Computers can perform extremely fast calculations which would take human beings years to accomplish, accelerating innovation to unprecedented levels. High-performance computing (HPC) and high-throughput computing (HTC) have enabled us to simulate large-scale complex processes and analyze tremendous amounts of data, benefitting applications ranging from climate research and drug discovery to material design. Emerging exascale computers will make the best even better, 50 times faster than today's most powerful supercomputers. The TREX Center of Excellence (CoE) federates European scientists, HPC stakeholders, and SMEs to develop and apply high-performance software solutions for high-accuracy quantum mechanical simulations at the exascale. In June 2022, TREX participated in the Teratec 2022 Forum as an exhibitor of the Europa Village. TREX also joined forces with SIPEARL and ATOS in the EMOPASS project, and use QMCKL and TREX applications to test SIPEARL processors, empowering the European microprocessors' industry.

Keywords

stochastic quantum chemical simulations, HPC, exascale

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This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
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