Exciting opportunity to join our team!! Postdoc position in AI/ML Accelerated Theory, Modeling and Simulation for Materials Discovery jobs.ornl.gov/job/Oak-Ridge-…

Our latest developments on the computation of dipole and transition moments in selected CI is now published and implemented in Quantum Package ! Well done Yann! PTEROSOR Laboratoire de Chimie et Physique Quantiques @CeisamLab Scemama Anthony Michel Caffarel Fábris Kossoski

Glad to share our recently published work on ML and Quantum Monte Carlo. QMCPACK ALCF Anatole von Lilienfeld Bing Huang and Jaron Krogel.

Great opportunity to join our highly dynamic team!! Postdoctoral Research Associate - AI/ML Accelerated Theory, Modeling and Simulation for Materials jobs.ornl.gov/job/Oak-Ridge-…

The future is here! Plenty of attractive senior and staff scientist positions for developing self-driving labs Acceleration Consortium (AC) and University of Toronto! These are theoretical #COMPCHEM as well as experimental positions. Please consider joining us or spread the word! psi-k.net/jobs/senior-st… 🔥🔥

QMCPACK v3.17.0 is released! It has been a long 6 months since v3.16.0 - the new version has a lot of quality of life and ease of use updates, plus new features and faster builds. See github.com/QMCPACK/qmcpac… for the changelog and all the details. Thanks to all who contributed!

QMCPACK v3.17.1 is out! This minor release improves HDF5 detection. Thanks for the problem reports. THe release is recommended for all. See github.com/QMCPACK/qmcpac…

Nature Communications Jean-Philip Piquemal Baptiste Claudon Julien Zylberman César Feniou Alberto Peruzzo Laboratoire de Chimie Théorique Sorbonne Université CNRS Chimie Also check out the "Behind the Paper"-Blog by Jean-Philip Piquemal communities.springernature.com/posts/polyloga…

Please share/repost!!! We're still looking for someone outstanding with QM & simulation or #COMPCHEM background to join our AI & Automation team as a permanent scientist at Acceleration Consortium (AC) University of Toronto in order to learn and use #MachineLearning in collaboration with Vector Institute! DM me

🚀🚀🚀a few mins before the #olympics kick off we're very excited to have been recognized as one of the top 8 most innovative #deeptech companies by Capital on the road to become global leaders by 2040, with Mistral AI, Pasqal - Quantum Computing, Exotrail,... Go #teamFrance!

Qubit Pharmaceuticals nominated for "Best Start-Up 2024" award by #PrixGalien USA hubs.li/Q02LGYMl0 #DrugCandidates #Pharmaceuticala #Healthcare

And please don't forget the 76 billion commercially available 2D molecules from which this 7 billion is drawn. Searchable in under a second using SmallWorld.

After over a decade at Argonne, it’s time for new adventures! It’s been an honor to work at one of the best places in the world for science. Huge thanks to my mentors and colleagues across the DOE national complex – I’m forever grateful. Stay tuned for what's next!

Exciting news! Delighted to welcome Anouar Benali as new Team Lead High Performance Electronic Structure Theory. With over a decade of experience at Argonne, Anouar is ready to drive breakthrough discoveries in #drugdesign using classical + #quantumcomputing

#HPC #supercomputing #compchem Happy to have been selected with Anouar Benali for the INCITE program on the Aurora supercomputer Argonne National Lab to run #exascale applications. Qubit Pharmaceuticals Laboratoire de Chimie Théorique Sorbonne Université alcf.anl.gov/news/incite-pr…

Exciting to see Quantum Zeitgeist highlighting our recent paper in Communications Chemistry (Nature Communications ) Check out the feature here: quantumzeitgeist.com/breakthrough-i…

#compchem A new approach to biomolecular simulations: introducing the FeNNix-Bio1 foundation #machinlearning model for molecular dynamics. Congrats Anouar Benali,Evgeny Posenitskiy, C. Villot !!!

#compchem What could we do if we had a fast and accurate foundation #MachineLearning learning model for condensed phase molecular dynamics simulation of biological systems? 👉Check the ChemRxiv preprint: "A Foundation Model for Accurate Atomistic Simulations in Drug Design":

🚀 AI is reinventing drug discovery! FeNNix-Bio1 by @QubitPharma & @Sorbonne_Univ delivers quantum-level accuracy in molecular simulations—fast, scalable & efficient. Read more on how it's changing the game 👉 blog.qubit-pharmaceuticals.com/blog/ai-is-rev… #AI #DrugDiscovery #QuantumComputing #Pharma

Qubit Pharmaceuticals. How AI-Powered Quantum Chemistry is Transforming Molecular Simulations #quantum #quantumcomputing #technology quantumzeitgeist.com/qubit-pharmace…