Pengyu Ren

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

[Jean-Philip Piquemal @jppiquem]

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

[Jean-Philip Piquemal @jppiquem]

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
https://t.co/XFg9FVQyr8

[Qubit Pharmaceuticals @qubit_pharma]

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! https://t.co/bGJTA3DLhJ

[Jean-Philip Piquemal @jppiquem]

#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)
https://t.co/fOIdc4cFdG

[Jean-Philip Piquemal @jppiquem]

#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 https://t.co/H5lAL4C780

[Jean-Philip Piquemal @jppiquem]

The Tinker meeting @TINKERtoolsMD is starting with Michael J. Schnieders @uiowa : CpHMD and Crystal Polymorph Algorithms for AMOEBA #tinkermeeting23 #compchem

[Jaffrelot Inizan Théo @JaffrelotT]

@ChemicalScience Tutorial link: https://t.co/wDYDXQF5ou 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

[Jean-Philip Piquemal @jppiquem]

Great work by @JaffrelotT,@Thomas__Ple,@OlivierApp. Nice collaborations with @olexandr & @prenbme. Funding @ERC_Research (project EMC2); Supercomputer time @Genci_fr

[Pengyu Ren @prenbme]

@D_EmmaFan Congratulations!

[Pengyu Ren @prenbme]

@jppiquem @HPC_Hyperion @OlivierApp @LCT_UMR7616 @Luc_Henri_Jolly @qubit_pharma Congratulations!

[Jean-Philip Piquemal @jppiquem]

#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 https://t.co/6QHWAHl6T8

[Qubit Pharmaceuticals @qubit_pharma]

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 https://t.co/kia6Eodchj

[Pengyu Ren @prenbme]

@JustinLemkulVT @jpotoff Years ago I tried CAREERS 3 times and failed 3 times. Then I had one app with a couple of E but not funded. If I had to rely on NSF I would not have a career.

[Pengyu Ren @prenbme]

@XuhuiHuangChem Congrats!

[Jean-Philip Piquemal @jppiquem]

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.

[Jean-Philip Piquemal @jppiquem]

#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 https://t.co/KKJt8EWtDu

[Pengyu Ren @prenbme]

@jppiquem @JaffrelotT @LCT_UMR7616 @Sorbonne_Univ_ @UTAustin Welcome to @UTBiomedical!

[Jean-Philip Piquemal @jppiquem]

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.

[Jean-Philip Piquemal @jppiquem]

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

[Pengyu Ren @prenbme]

@EA_Cairns https://t.co/OXTPX4eO5Q
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