Targeting Real #Chemical Accuracy at the #Exascale with Stochastic #QuantumMonteCarlo methods. Funded by the EU H2020-INFRAEDI-05-2020. GA 952165.
Joined July 2020
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New publication out in @VBFC!
Discover QMCkl, a #highperformance, modular kernel library accelerating #QuantumMonteCarlo simulations
- Portable & reproducible
- TREXIO-compatible
- Significant speedups in energy & derivative calculations
shorturl.at/uGvpS
TREX-EU retweeted
QMCkl: A Kernel Library for Quantum Monte Carlo Applications. arxiv.org/abs/2512.16677
👏 Celebrating our remarkable #TREX journey in revolutionising #QuantumMonteCarlo software for #HPC exascale #chemistry applications!
Proud to develop cutting-edge #QMC #flagshipCodes to push the boundaries of #innovation🚀
A big thank you for your invaluable #collaboration!
📢Special thank you to all our partners from @UTwente @CNRS @Sissaschool @Cineca1969 @maxplanckpress @LIST_Luxembourg @uvsq @MegwareComputer @p_lodz_pl @AkademiaVied @TrustITServices @UniKonstanz @mpifkf 👏👏👏
🚀 Our final #Symposium in Feb 2024 united global experts in #HPC, #quantum #chemistry, & materials science.
⬇️ Download our report to see how #TREX revolutionises #QMC technologies, making powerful tools accessible to all.
🔗tinyurl.com/4tuavmey
#TREX #Symposium Report is out!
Discover key insights from our esteemed #speakers
@psich_en @UofIllinois @argonne @CNRS @UTwente @uvsq @univienna @univaq @LIST_Luxembourg @helsinkiuni @uni_lu @maxplanckpress @MegwareComputer @TrustITServices @UninaIT @AkademiaVied @UniKonstanz
📢Discover quantum #chemistry with #CHAMP!
🚀CHAMP: TREX's #QMC #flagshipcode unlocks molecular mysteries, predicting properties & understanding reactions.
💻Dive into #quantum research & explore its latest developments!
Learn more➡️ tinyurl.com/up2b9b7m
🚀Dive into TREX's captivating scientific #publications to uncover groundbreaking research in #QMC. Stay ahead in #quantum simulations at the #HPC #exascale.
Explore now!
➡️tinyurl.com/2bbrk9cd
🚀Discover the exciting result of the #TurboRVB flagship #QMC code
➡️tinyurl.com/4hsm4x9d
📺Watch our series of #workshops & learn from the presentations & real-world experiences from various #HPC experts & #code users 🧑💻👩💻
📌tinyurl.com/y8vdk2yd
📌tinyurl.com/9pfevmuz
🚀Dive into our latest QMC=Chem #flagshipcode, advancing #QuantumComputing #Innovations & unlocking the potential of #QMC simulations for chemical applications on petaflops infrastructures!
Learn more & get support from our user communities ➡️tinyurl.com/yc4xp62k
🙌Big thanks to all who joined us at the #TREXsymposium in Luxembourg!
🤝Rediscover & explore the latest breakthroughs in #QuantumChemistry, #QMC simulations & #HPC insights shared by our exceptional #speakers.
⬇️Download the presentations now⬇️ tinyurl.com/TREXSymposium
It's #ThrowbackFriday & time to take a look back at our #Webinars 😎📺
🚀Deep dive into each of our flagship #QMC codes & libraries developments, & discover how we are optimising #HPC #software for the upcoming #exascale transition
➡️ tinyurl.com/5f3c2hm4
TREX-EU retweeted
Collaborative paper with Antoine Marie and Abdallah Ammar for the upcoming Faraday discussion in London (July) where we investigate the performance of the cumulant expansion of the Green's function for molecules @LCPQ_UMR5626 @pterosor @trex_eu #compchem
[2402.16414] Cumulant Green's function methods for molecules #compchem arxiv.org/abs/2402.16414
📣Discover the latest #improvements of #GAMMCOR code. It's one of the TREX flagships #QMC #software, a tool for #electronic structure calculations developed by #Quantum #Chemistry Group @p_lodz_pl
Learn more & get support from our communities of users ➡️ tinyurl.com/erkr9upf
🚀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📜
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
🙌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
🚀Wrapping up the session with valuable insights & final remarks from the experts moderated by @sarapittonet from @TrustITServices
🌐Keep learning more about the TREX #HPC flagship #QMC codes, visit trex-coe.eu/trex-quantum-che…
Thank you for joining us!
🗣️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-che…
🗣️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-che…
🗣️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-che…
