Anouar Benali
@anouarb.bsky.social
Computational Scientist focused on high accuracy electronic structure methods on HPC (QMC and sCI).
After more than a decade as a Science Lead at Argonne National Laboratory, I now Lead a Research Team at Qubit Pharmaceuticals.
After more than a decade as a Science Lead at Argonne National Laboratory, I now Lead a Research Team at Qubit Pharmaceuticals.
Reposted by Anouar Benali
FeNNix-Bio1 by Qubit Pharmaceuticals &
@sorbonne-universite.fr
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-r...
@sorbonne-universite.fr
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-r...
AI and Quantum Chemistry: Powering the Next Leap in Drug Design
Qubit Pharmaceuticals accelerates and transforms drug discovery by publishing an unprecedentedly accurate computational approach combining their core technologies with exciting innovations: highest ac...
blog.qubit-pharmaceuticals.com
May 7, 2025 at 1:25 PM
FeNNix-Bio1 by Qubit Pharmaceuticals &
@sorbonne-universite.fr
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-r...
@sorbonne-universite.fr
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-r...
Reposted by Anouar Benali
#compchem FeNNix-Bio1 can accuratly model: water properties, ions in solution, small molecules hydration free energies, complex folding free-energy landscapes, large-scale protein dynamics, protein-ligand binding, chemical reactions & can be coupled to protein structure prediction models (Boltz-1)
#compchem New preprint: "A Foundation Model for Accurate Atomistic Simulations in Drug Design"
FeNNix-Bio1, a foundation #machinelearning model for biosimulations
doi.org/10.26434/che...
#compchemsky #biosky
Great work by T. Plé & the teams @lct-umr7616.bsky.social & @qubit-pharma.bsky.social
FeNNix-Bio1, a foundation #machinelearning model for biosimulations
doi.org/10.26434/che...
#compchemsky #biosky
Great work by T. Plé & the teams @lct-umr7616.bsky.social & @qubit-pharma.bsky.social
A Foundation Model for Accurate Atomistic Simulations in Drug Design
Neural network potentials now offer robust alternatives to electronic structure and empirical force fields computations for the on-the-fly production of the potential energy surfaces required in atomi...
doi.org
May 6, 2025 at 10:31 AM
#compchem FeNNix-Bio1 can accuratly model: water properties, ions in solution, small molecules hydration free energies, complex folding free-energy landscapes, large-scale protein dynamics, protein-ligand binding, chemical reactions & can be coupled to protein structure prediction models (Boltz-1)
Reposted by Anouar Benali
💫 Exciting News: Qubit Pharmaceuticals awarded 1.44 Million GPU Hours through INCITE Program! #hpc #supercomputing #exascale
#HPC #supercomputing #compchem
Happy to have been selected with @anouarb.bsky.social for the INCITE program on the Aurora supercomputer (@ Argonne National Laboratory) to run #exascale applications.
@ qubit_pharma @lct-umr7616.bsky.social
www.alcf.anl.gov/news/incite-...
Happy to have been selected with @anouarb.bsky.social for the INCITE program on the Aurora supercomputer (@ Argonne National Laboratory) to run #exascale applications.
@ qubit_pharma @lct-umr7616.bsky.social
www.alcf.anl.gov/news/incite-...
December 1, 2024 at 7:42 AM
💫 Exciting News: Qubit Pharmaceuticals awarded 1.44 Million GPU Hours through INCITE Program! #hpc #supercomputing #exascale
Reposted by Anouar Benali
#HPC #supercomputing #compchem
Happy to have been selected with @anouarb.bsky.social for the INCITE program on the Aurora supercomputer (@ Argonne National Laboratory) to run #exascale applications.
@ qubit_pharma @lct-umr7616.bsky.social
www.alcf.anl.gov/news/incite-...
Happy to have been selected with @anouarb.bsky.social for the INCITE program on the Aurora supercomputer (@ Argonne National Laboratory) to run #exascale applications.
@ qubit_pharma @lct-umr7616.bsky.social
www.alcf.anl.gov/news/incite-...
November 27, 2024 at 6:37 AM
#HPC #supercomputing #compchem
Happy to have been selected with @anouarb.bsky.social for the INCITE program on the Aurora supercomputer (@ Argonne National Laboratory) to run #exascale applications.
@ qubit_pharma @lct-umr7616.bsky.social
www.alcf.anl.gov/news/incite-...
Happy to have been selected with @anouarb.bsky.social for the INCITE program on the Aurora supercomputer (@ Argonne National Laboratory) to run #exascale applications.
@ qubit_pharma @lct-umr7616.bsky.social
www.alcf.anl.gov/news/incite-...