We have received numerous sollicitations regarding our Hyperion-1 quantum emulator , thank you everyone! For those who asked, yes Hyperion-1 is under test on AMD and Intel GPU platforms. Working on the logo right now 😃 !! Stay tuned for more results !!!

Yesterday, we released some information regarding our Hyperion-1 state-vector quantum emulator.
It is designed to scale across GPU-accelerated nodes towards the fast exploration of the 30++ (exact) qubits regime. We tested it on NVIDIA A100 GPU architecture on the Jean Zay GENCI/CNRS machine.
Big kudos to the amazing team: O. ADJOUA, C. Feniou, E. Posenitskiy, L. Lagardère.

New paper published in the Journal of Chemical Physics
: Smooth Particle Mesh Ewald-integrated stochastic Lanczos many-body dispersion algorithm. Great work by Pier P. Poier. Funding ERC_Research (project EMC2); supercomputer time Genci_fr. Implemented in Tinker-HP. doi.org/10.1063/5.0166476

New : Smooth Particle Mesh Ewald-integrated stochastic Lanczos Many-body Dispersion algorithm. Great work by Pier Poier. Funding ERC_Research (project EMC2) Supercomputer time by GENCI.

Out in Chemical Science. "Scalable Hybrid Deep Neural Networks/Polarizable Potentials Biomolecular Simulations including long-range effects", introducing the Deep-HP multi--accelerated platform (part of Tinker-HP). Check the paper out () !!! doi.org/10.1039/D2SC04815A

Simulating more than 10 μs, we compute charged/uncharged ligands solvation free energies in 4 solvents, & absolute binding free energies of host–guest complexes from SAMPL challenges. ANI-2X/AMOEBA average errors are within chemical accuracy at force-field cost.
RT @jppiquem
Out @ChemicalScience. "Scalable Hybrid Deep Neural Networks/Polarizable Potentials Biomolecular Simulations including lo…

Join me today at the @nvidia . I will present some our group join efforts with @qubit_pharma to develop the HYPERION QC simulator: "How Short-Term Hybrid - can Accelerate " [S51584], Mar 22 3:00 PM CET nvidia.com/gtc/session-catalog

Happy to see that Thomas Plé's beautiful artwork for the Quantum-HP nuclear quantum effects simulation platform made it to the JCTC (back) COVER !!! pubs.acs.org/doi/10.1021/acs.j

Nice package in my mail this morning. Thanks @HPC_Hyperion@twitter.com for highlightning our work.

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Latest : ANKH: A Generalized O(N) Interpolated Ewald Strategy for Molecular Dynamics Simulations. Important step for us towards MD polarizable simulations with Tinker-HP @TINKERtoolsMD@twitter.com. Great work by Igor Chollet. doi.org/10.48550/arXiv.2212.08

RT @qubit_pharma@twitter.com

We are very pleased to announce a strategic collaboration with @NVIDIA@twitter.com to develop a world leading - platform to accelerate !🚀 We will benefit from NVIDIA's infrastructure together with and blogs.nvidia.com/blog/2022/11/

🐦🔗: twitter.com/qubit_pharma/statu

Honored to receive the HPC Innovation Excellence Award(@Hyperion_HPC@twitter.com/ User Forum) for our SARSCoV2 works. Kudos to the team @LCT_UMR7616@twitter.com & @qubit_pharma@twitter.com. Thanks to @Genci_fr@twitter.com @PRACE_RI@twitter.com @awscloud@twitter.com for support. EMC2 @ERC_Research@twitter.com hpcwire.com/off-the-wire/hyper

RT @HPC_Guru@twitter.com

Nvidia count (Nov 2022) taken from the

State of AI Report Compute Index

1. @Meta@twitter.com
2. Leonardo @Cineca1969@twitter.com
3. @Tesla@twitter.com
4. Perlmutter @NERSC@twitter.com


via @PJ_Muncaster@twitter.com

🐦🔗: twitter.com/HPC_Guru/status/15

RT @HPC_Guru@twitter.com

The journey from Petascale to Exascale and beyond

“There are only a handful of places in the world where you could do this, and DOE is one of them”

has shown that six labs can come together and work together”


via @doescience@twitter.com

🐦🔗: twitter.com/HPC_Guru/status/15

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