Pier Paolo Poier

Software architect @kvantify, previously Master and PhD student at @AarhusUni and PostDoc at @jppiqresearch @Sorbonne_Univ_

[Pier Paolo Poier @PierPoier]

@RaoulWalther @ChemCambridge @DFF_raad Congrats 🥳

[Pier Paolo Poier @PierPoier]

@bluabissi @La7tv Mentana, onnipotente si, dottore no visto che non ha una laurea (non che la laurea definisca la bravura)

[Pier Paolo Poier @PierPoier]

https://t.co/4up1aFoTyw

[Pier Paolo Poier @PierPoier]

@PiquemalGroup Thanks a lot for the wishes!

[Jean-Philip Piquemal @jppiquem]

#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 https://t.co/gFohTsORSn

[Jaffrelot Inizan Théo @JaffrelotT]

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

[The Journal of Physical Chemistry @JPhysChem]

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
https://t.co/bhph1BTBqC

[Jean-Philip Piquemal @jppiquem]

#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 https://t.co/mEW9kbzSU4

[Jean-Philip Piquemal @jppiquem]

#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 https://t.co/W8o1DcItec

[Pier Paolo Poier @PierPoier]

Very happy to share our new preprint on pushing the accuracy in Many-Body Dispersion modelling through the DNN-MBDQ model 😀

[Jean-Philip Piquemal @jppiquem]

#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 https://t.co/Sj5Ah0OQuK

[Pier Paolo Poier @PierPoier]

@SouzaPauloCT @LisbethThorup @GilPMPereira Congrats @LisbethThorup !!!

[TINKERtools @TINKERtoolsMD]

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 https://t.co/7po25shXrZ

[Pier Paolo Poier @PierPoier]

@SimoPillon 🔴 MONA!

[Pier Paolo Poier @PierPoier]

@Pennacchiiiii Can da l'ostia, gnanca le orchestre de lissio d'istá fa tute chee sagre li, brao ció!👏

[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

[Pier Paolo Poier @PierPoier]

@EsbenSv Hej Esben, tillykke med artiklen! 🍻🍾

[Jean-Philip Piquemal @jppiquem]

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

[The Journal of Physical Chemistry @JPhysChem]

@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

https://t.co/VgrCo1JcgO

[Pier Paolo Poier @PierPoier]

Very interesting and nice structural biology work combining cryoEM and Xray diffraction to resolve an A2MF inhibitor 🔎🔬⚗️

[Pier Paolo Poier @PierPoier]

@goldclusters https://t.co/CmgzhkyLwz