TREX-EU

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TREX-EU

TREX-EU

@trex_eu

Targeting Real #Chemical Accuracy at the #Exascale with Stochastic #QuantumMonteCarlo methods. Funded by the EU H2020-INFRAEDI-05-2020. GA 952165.

Katılım Temmuz 2020
137 Takip Edilen259 Takipçiler
TREX-EU
TREX-EU@trex_eu·
🚀Dive into cutting-edge #Quantum #Chemistry with this latest publication! 📖Discover how hybrid parallelisation & the SCI approach are transforming #FCI calculations, making them more efficient while preserving #accuracy. ⏬#HPC #QMC 📜Read now📜
Pierre-Francois Loos@TitouLoos

New preprint on @arXiv today... First time we actually look into the energy consumption of SCI calculations... Quite interesting alternative if one wants to reach FCI accuracy for a few kWh... Thank you to @UMS_CALMIP for the CPU hours! #compchem @pterosor @trex_eu @LCPQ_UMR5626

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TREX-EU
TREX-EU@trex_eu·
🙌Thank you for joining the #webinar! We hope you gained valuable insights into the latest developments of TREX flagship #QMC codes & optimised #opensource libraries for the upcoming #HPC #exascale transition. ⏬Rewatch & download the presentations now 🔗tinyurl.com/ssepjd2k
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TREX-EU@trex_eu·
🗣️Emmanuel Giner @CNRS showcasing latest developments & insightful examples of #QuantumPackage code! 🚀It estimates full configuration interaction energies using the CIPSI algorithm & provides a friendly environment for developing new methods. 🌐Visit trex-coe.eu/trex-quantum-c…
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TREX-EU@trex_eu·
🗣️Learn more about the #CHAMP code, a #QMC suite of programs for accurate electronic structure calculations of molecular systems, now with noteworthy functionalities & developments, presented by Ravindra Shinde from @UTwente 🌐Visit trex-coe.eu/trex-quantum-c…
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TREX-EU@trex_eu·
🗣️Let's hear from Abdallabh Ammar from @CNRS about the QMC=Chem code, a #QMC package for electronic structure calculations of molecular systems, optimising efficient algorithms to provide highly accurate & compact wavefunctions. 🌐Visit trex-coe.eu/trex-quantum-c…
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