Pier Paolo Poier

@RaoulWalther @ChemCambridge @DFF_raad Congrats 🥳

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

@La7tv Si abbia il coraggio di ridimensionare i deliri di onnipotenza del dottor Mentana, che si crede in diritto di sforare i tempi del suo TG sistematicamente, e poi se la Gruber lo definisce per quello che è, si sente offeso e chiama la mamma. Che spettacolo indecoroso!

Comunicato dell’editore

@PiquemalGroup Thanks a lot for the wishes!

Congrats to @PierPoier, former postdoc in the group, who started a software architect position at Kvantify in Danemark. May the force be with you Pier Paolo!

#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

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

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

#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.jp…

#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

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

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

I am very proud of this perspective published with @LisbethThorup and @GilPMPereira, who in less than a year show great enthusiasm thinking of new ideas on how to use #Martini #CoarseGrained models for #DrugDesign and #Drugdelivery. Check out it here: cambridge.org/core/journals/…

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

@SimoPillon 🔴 MONA!

🔴 FOLLIA! In una piazza di Birmingham compare il monumento alla nuova famiglia: due donne, una delle quali incinta, con due bambini per mano. Post completo: facebook.com/photo.php?fbid…

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

Ecco, finìe e ferie... #tour

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

@EsbenSv Hej Esben, tillykke med artiklen! 🍻🍾

Very happy and proud to be able to share my work on the covalent reactivity of functionalized 5-hydroxy-butyrolactams on chemRxiv➡️ doi.org/10.26434/chemr…

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

@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

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

@goldclusters aip.scitation.org/doi/10.1063/1.…

Why do physicists worship perturbation theory so much? 🤔