Jean-Philip Piquemal @piquemal@mastodon-pa.sorbonne-universite.fr
- https://twitter.com/jppiquem
Jean-Philip Piquemal
Director @LCT_UMR7616 & Professor of Chemistry - Sorbonne Université;
BME Adjunct Professor @UT Austin;
CSO @ http://qubit-pharmaceuticals.com;
EMC2 #ERCSyG project (https://erc-emc2.eu).
(My Views)
Research interests: Multiscale Quantum Chemistry & Molecular Simulation;
Development of the Tinker-HP (https://tinker-hp.org) molecular dynamics package.
#compchem #HPC #supercomputing #quantumcomputing #machinelearning
#chemiverse #chemistry
Joined Nov 2022
RT @foeroyingur
Induction effects on the absorption maxima of photoreceptor proteins
#compchem https://twitter.com/JonR_Church/status/1638525221563973632
#compchem How to validate machine-learned interatomic potentials https://doi.org/10.1063/5.0139611
#compchem Good read: Accelerating Cryptic Pocket Discovery Using AlphaFold https://doi.org/10.1021/acs.jctc.2c01189
RT @intel
Today, we lost a visionary.
Gordon Moore, thank you for everything.
RT @qubit_pharma
Qubit Pharmaceuticals is a laureate of the very first class of the #FrenchTech Health20. The programme ambition is to support high-potential start-ups that meet a common objective of accelerating innovation & deploy their initiatives on a large scale. https://lafrenchtech.com/en/how-france-helps-startups/french-tech-health20/
#compchem Good read: A mapping approach to surface hopping https://doi.org/10.1063/5.0139734
#compchem Good read: Automatic differentiation for orbital-free density functional theory https://doi.org/10.1063/5.0138429
#compchem Good read: Memory-Efficient Recursive Evaluation of 3-Center Gaussian Integrals https://doi.org/10.1021/acs.jctc.2c00995
#compchem Good read: Cavity-Free Continuum Solvation: Implementation and Parametrization in a Multiwavelet Framework https://doi.org/10.1021/acs.jctc.2c01098
Join me today at the @nvidia #GTC23. I will present some our group join efforts with @qubit_pharma to develop the HYPERION QC simulator: "How Short-Term Hybrid #HPC-#quantumcomputing can Accelerate #drugdiscovery" [S51584], Mar 22 3:00 PM CET #compchem https://www.nvidia.com/gtc/session-catalog/?tab.catalogallsessionstab=16566177511100015Kus&search=piquemal#/session/1666624617519001WoIw
Something to keep in mind.
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RT @NobelPrize
Despite his teacher’s opinion that he couldn’t learn simple biology, John Gurdon went on to receive a #NobelPrize, thanks to his classic frog experiment, which showed that the DNA of mature frog cells has all the information needed to develop all cells in its body.
#WorldFrogDay
https://twitter.com/NobelPrize/status/1637787364385779715
RT @qubit_pharma
🧐 Wondering how #quantumcomputing can impact #drugdiscovery on the near term?
🤩 Look no further! Don't miss Jean-Philip Piquemal (@jppiquem)'s talk at @nvidia #GTC23 on wednesday march 22nd 3:00 - 3:25PM CET! #compchem
👉 click here to register : https://www.nvidia.com/gtc/session-catalog/?tab.catalogallsessionstab=16566177511100015Kus&search=piquemal#/session/1666624617519001WoIw
RT @zoecournia
The European Conference on Computational and Theoretical Chemistry, organized by @EuChemS will take place in Thessaloniki, Greece, 27-31 August 2023. Looking forward to receiving your abstracts! https://euchems-compchem.eu/abstracts/
Early bird registration 15 April. #compchem
#compchem #quantumcomputing Just out @ WIRES Comp Mol Sci and #OpenAccess : Open source variational quantum eigensolver extension of the quantum learning machine for quantum chemistry. Great work by M. Haidar & nice collab. with M. J. Rančić, Y. Maday https://doi.org/10.1002/wcms.1664
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 !!! #compchem #HPC #supercomputing https://pubs.acs.org/doi/10.1021/acs.jctc.2c01233
#compchem
RT @jppiquem
Happy to see that @Thomas__Ple's beautiful artwork for the Quantum-HP nuclear quantum effects simulation platform made it to the JCTC (back) COVER @JCIM_JCTC !!!
https://pubs.acs.org/doi/10.1021/acs.jctc.2c01233#compchem
RT @juanjnogueira
📢Happy to share the last paper by Vito published in @PCCP on the formation of charge transfer states between photoswitches and ion channels.
https://pubs.rsc.org/en/content/articlelanding/2023/cp/d2cp05678j
#compchem Good read: AQME: Automated quantum mechanical environments for researchers and educators https://doi.org/10.1002/wcms.1663
#compchem Good read: Using Collocation to Solve the Schrödinger Equation https://doi.org/10.1021/acs.jctc.2c01232
#compchem Good read: Machine Learning Assisted Simulations of Electrochemical Interfaces: Recent Progress and Challenges https://doi.org/10.1021/acs.jpclett.2c03288
- https://twitter.com/jppiquem
Jean-Philip Piquemal
Director @LCT_UMR7616 & Professor of Chemistry - Sorbonne Université;
BME Adjunct Professor @UT Austin;
CSO @ http://qubit-pharmaceuticals.com;
EMC2 #ERCSyG project (https://erc-emc2.eu).
(My Views)
Research interests: Multiscale Quantum Chemistry & Molecular Simulation;
Development of the Tinker-HP (https://tinker-hp.org) molecular dynamics package.
#compchem #HPC #supercomputing #quantumcomputing #machinelearning
#chemiverse #chemistry
Joined Nov 2022
