@prenbme

Professor. BME. Molecular Modeling & Biomedical Engineering. Tinker & AMOEBA(+). @qubit_pharma. Opinions are my own.

 UT Austin
biomol.bme.utexas.edu
Joined July 2010
  • Tweets445
  • Following1.1K
  • Followers1.2K
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We have received numerous sollicitations regarding the 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, more results are coming soon. @sorbonne_univ @LCT_UMR7616 @qubit_pharma #quantumcomputing #compchem #hpc #supercomputing #gpu
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Today we released some news about our new software developed in collaboration with @qubit_pharma. Hyperion-1 is a massively parallel, GPU-accelerated, state-vector quantum emulator designed to explore the 30++ (exact) qubits regime. Huge thank to the team: @OlivierApp @ChemCesar @EPosenitskiy Louis Lagardère #quantumcomputing #compchem @Genci_fr @nvidia #HPC #supercomputing #GPU thequantuminsider.com/2023/1…
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Great talk by J. Huang @nvidia at the #aiPULSE conference by @Scaleway about the importance of having control over the hardware to be able to stay at the forefront of the AI & digital revolution. Thanks a lot for mentioning us as key players in the field! lnkd.in/emPDC_Kg
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#compchem New #preprint: Incorporating Neural Networks into the AMOEBA Polarizable Force Field. Nice work by Yanxing Wang and @JaffrelotT. Another great collaboration with the @prenbme group (@leucinw) doi.org/10.26434/chemrxiv-20…
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#compchem Just published in JCTC @JCIM_JCTC: Cooperativity and Frustration Effects (or Lack Thereof) in Polarizable and Non-Polarizable Force Fields. Congrats @_jnochebuena & fun project with old friends: @CisnerosRes and @shubinliu. @TINKERtoolsMD dx.doi.org/10.1021/acs.jctc.…
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The Tinker meeting @TINKERtoolsMD is starting with Michael J. Schnieders @uiowa : CpHMD and Crystal Polymorph Algorithms for AMOEBA #tinkermeeting23 #compchem
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Replying to @JaffrelotT @ChemicalScience
Tutorial link: github.com/TinkerTools/tinke… Deep-HP is here to combine #MachineLearning potential with @TINKERtoolsMD to run large #BiomolecularSimulations Big Thanks to @jppiquem @Thomas__Ple @OlivierApp @olexandr @prenbme @ERC_Research @Genci_fr
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Great work by @JaffrelotT,@Thomas__Ple,@OlivierApp. Nice collaborations with @olexandr & @prenbme. Funding @ERC_Research (project EMC2); Supercomputer time @Genci_fr
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#compchem Preprint: 𝛽-actin plasticity is modulated by coordinated actions of histidine 73 methylation, nucleotide type, and ions. Great work by @AdrienSchahl from a long collaboration with @Matth_Chavent. Big thanks @prenbme @misterwalker. @TINKERtoolsMD doi.org/10.1101/2022.12.16.5…
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We are very pleased to announce a strategic collaboration with @NVIDIA to develop a world leading #HPC- #Quantumcomputing platform to accelerate #drugdiscovery!🚀 We will benefit from NVIDIA's #DGX infrastructure together with #QODA and #CuQuantum blogs.nvidia.com/blog/2022/1…

Qubit Pharmaceuticals Accelerates Drug Discovery With Hybrid Quantum Computing

Startup Qubit Pharmaceuticals is significantly reducing the time and investment needed for drug discovery with by accelerating drug molecule simulation and modeling with hybrid quantum computing.

blogs.nvidia.com
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Pengyu Ren @prenbme and I will start a @ResultsinChem Virtual Special issue dedicated to #compchem. I have still a few vouchers so if you have a good paper that could fit, contact me.
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#compchem New preprint: Scalable Hybrid Deep #NeuralNetworks/Polarizable Potentials Biomolecular Simulations including Long-range Effects. Great work by @JaffrelotT @Thomas__Ple @OlivierApp & collabs: @olexandr @prenbme. EMC2 @ERC_Research, #HPC @Genci_fr arxiv.org/abs/2207.14276
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Congrats to @JaffrelotT, PhD student in our group @LCT_UMR7616 @Sorbonne_Univ_ , who is laureate of the prestigious 2022 𝐅𝐮𝐥𝐛𝐫𝐢𝐠𝐡𝐭 𝐅𝐞𝐥𝐥𝐨𝐰𝐬𝐡𝐢𝐩. He will spend several months in US visiting Prof. @prenbme @UTAustin to conduct his #compchem research project.
Fulbright France@FulbrightFrance8 Jul 2022
Replying to @FulbrightFrance
Nous souhaitons un plein succès à la promotion 2022 ! 🇺🇸🇫🇷✨
© Chantal Mistral-Bernard

ALT © Chantal Mistral-Bernard

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Please RT. #compchem We are looking for an experienced #HPC engineer to work on various GPU optimizations of the Tinker-HP software @TINKERtoolsMD. Please contact me if interested. This position is funded by @ERC_Research (project ERC EMC2) and oriented towards exascale computing
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🥳We are extremely pleased to announce our €16.1m seed round with @Quantonation @XAngeVC @OmnesCapital & @olesovhcom !🚀These funds will allow us to hire 40 more people, to have a portfolio of 10 drug discovery programs & to continue to invest in research qubit-pharmaceuticals.com/

Qubit Pharmaceuticals

Qubit Pharmaceuticals brings unparalleled accuracy and precision to drug discovery and design, using cutting-edge quantum physics-based science and technologies to develop life-changing treatments...

qubit-pharmaceuticals.com
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The #tinkermeeting is over. It was good for science and good for the soul. Here are my takeaways from my first in-person meeting in 2.5 years…
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Tinker Developer Workshop 2022 has just started! @jppiquem @prenbme @JoshRackers @MosesChung11 + many more – at Washington, DC
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Great synthesis efforts by @EnamineLtd, collab. @UniPadova @Sorbonne_Univ_ @INC_CNRS @LeCnam @MatthieuMontes @M2d2Team @UTBiomedical @prenbme @TINKERtoolsMD; funding @ERC_Research (project EMC2)
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🤩 Another great achievement for @qubit_pharma 🏅 We have been awarded the prestigious #iNov prize for the QuMed project by the Secrétariat général pour l'investissement @Bpifrance #France2030. QuMed will be dedicated to #quantumcomputing & #drugdiscovery gouvernement.fr/france-2030-…
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Happy to speak today at the "Ambitions quantiques" conférence and to present the @qubit_pharma drug discovery workflow. #HPC #supercomputing #QuantumComputing
CNRS 🌍
@CNRS21 Feb 2022
#PFUE2022 🇫🇷🇪🇺 | Dans le cadre de la présidence française de l’Union européenne (@Europe2022FR), le @CNRS co-organise, le 21 février 2022, la conférence en ligne "Ambitions quantiques : renforcer le leadership de l’Europe". #Quantique ⤵⤵️
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