Software architect @kvantify, previously Master and PhD student at @AarhusUni and PostDoc at @jppiqresearch @Sorbonne_Univ_
Joined July 2021
- Tweets 59
- Following 244
- Followers 118
- Likes 739
Photos and videos
Pier Paolo Poier retweeted
6 Jul 2023
#compchem #HPC New #preprint: Smooth Particle Mesh Ewald-integrated stochastic Lanczos Many-body Dispersion algorithm. Great work by @PierPoier. Funding @ERC_Research (project EMC2). Supercomputer time @Genci_fr. @LCT_UMR7616 @TINKERtoolsMD arxiv.org/abs/2307.02278
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Pier Paolo Poier retweeted
4 Apr 2023
Excited to announce the publication of our latest article on "Scalable Hybrid Deep Neural Networks/Polarizable Potentials Biomolecular Simulations Including Long-Range Effects" in @ChemicalScience ! Check out our #GitHubTutorial #DeepLearning. #AIinChemistry #compchem
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Pier Paolo Poier retweeted
1 Apr 2023
Improved accuracy for the Deep Learning-aided many-body dispersion (DNN-MBD) correction to DFT. DNN-MBDQ goes beyond dipole including quadrupole polarizability (Q) terms via a generalized Random Phase Approximation (RPA) formalism. @PierPoier @jppiquem
go.acs.org/4na
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Pier Paolo Poier retweeted
7 Feb 2023
#compchem Just out in #jpclett @JPhysChem (#OpenAccess ) : Generalized Many-Body Dispersion Correction through Random-phase Approximation for Chemically Accurate DFT. Introducing the DNN-MBDQ model including quadrupole corrections. Great work by @PierPoier doi.org/10.1021/acs.jpclett.…
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Pier Paolo Poier retweeted
27 Jan 2023
#compchem🚨#preprint🚨:Force-Field-Enhanced Neural Network Interactions: from Local Equivariant Embedding to Atom-in-Molecule properties & long-range effects. Great work by @Thomas__Ple introducing the hybrid physically-driven #machinelearning FENNIX model arxiv.org/abs/2301.08734
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19 Oct 2022
Very happy to share our new preprint on pushing the accuracy in Many-Body Dispersion modelling through the DNN-MBDQ model 😀
19 Oct 2022
#compchem Excited to share our new #preprint. Pushing the accuracy of Deep Learning-aided many-body dispersion correction for Density Functional Theory: inclusion of quadrupole polarizabilities through Random Phase Approximation. Stellar work by @PierPoier arxiv.org/abs/2210.09784
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Pier Paolo Poier retweeted
15 Oct 2022
New website for Tinker-HP @TINKERtoolsMD. It will accumulate new ressources including tutorials, an extended manual and various publications of interest. Check it out!! #compchem #HPC #supercomputing #neuralnetworks tinker-hp.org/
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Pier Paolo Poier retweeted
8 Jul 2022
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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Pier Paolo Poier retweeted
9 Jun 2022
Lots of exciting new projects at the Many-Body interactions workshop:AMOEBA polarizable FF (@leucinw), Machine-learned electron densities (@JoshRackers), scalable quantum nuclear effects (Thomas Plé), stochastic ML-assisted many-body dispersion (@PierPoier) #compchem
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Pier Paolo Poier retweeted
5 Jun 2022
@PierPoier @jppiquem propose a new many-body dispersion correction for density functional theory. Thanks to neural networks, the density-free framework is shown to be highly accurate, transferable & applicable beyond electronic structure theory #compchem
go.acs.org/1jG
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31 May 2022
Very interesting and nice structural biology work combining cryoEM and Xray diffraction to resolve an A2MF inhibitor 🔎🔬⚗️
12 May 2022
Our new Accurate Deep Learning-Aided Density-Free Strategy for Many-Body Dispersion corrected DFT is just out, super happy for the results and for the teamwork!💻🥳🍻
@JaffrelotT, @OlivierApp, Louis Louis Lagardère, @jppiquem ,@TINKERtoolsMD, @LCT_UMR7616
12 May 2022
#compchem Just out in J. Phys. Chem. Lett. @JPhysChem: Accurate Deep Learning-Aided Density-Free Strategy for Many-Body Dispersion-Corrected DFT. Pushing further DFT-D accuracy on S66x8/S22 datasets including many-body effects. @PierPoier @JaffrelotT doi.org/10.1021/acs.jpclett.…
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2 May 2022
Many great events this year at @UniPadova for the 800th anniversary.
Tullio Levi Civita, lo spettacolo di @Pennacchiiiii
800anniunipd.it/event/tullio…
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31 Mar 2022
Very happy to share our last preprint! 🎉 Great team work combining Deep Learning and long-range Many-Body dispersion physics
31 Mar 2022
#compchem Excited to share our new #preprint: Accurate Deep Learning-aided Density-free Strategy for Many-Body Dispersion-corrected DFT. Great work by @PierPoier @JaffrelotT @OlivierApp. @ERC_Research (project EMC2), @Genci_fr @TINKERtoolsMD arxiv.org/abs/2203.15739
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Pier Paolo Poier retweeted
29 Mar 2022
Physics is So Cool
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Pier Paolo Poier retweeted
18 Mar 2022
Diels-Alder with DFT? On ChemRXiv all the answers @ChemRxiv
chemrxiv.org/engage/chemrxiv…
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8 Mar 2022
🥳🍻Happy to share my first solo contribution "Variational formulation of the Bond Capacity charge polarization model" increasing the Bond Capacity model's MD performaces by a factor of 2🚀 @TINKERtoolsMD @LCT_UMR7616
doi.org/10.1063/5.0082680
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Pier Paolo Poier retweeted
8 Mar 2022
#compchem Our paper introducing a new O(N) Stochastic Evaluation of Many-Body van der Waals Energies (MBD model) in large complex systems made it to the (back) cover of #JCTC! @PierPoier @ACS4Authors @LCT_UMR7616. Funding @ERC_Research (project EMC2) doi.org/10.1021/acs.jctc.1c0…
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Pier Paolo Poier retweeted
9 Feb 2022
Post-doc opportunity in Ove Christiansens group in Århus (Aarhus) #compchem
au.dk/om/stillinger/job/post…
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