Roberto Di Remigio

3.1K posts

Roberto Di Remigio

@_boberto_

Stockholm, Sweden Katılım Şubat 2014

599 Takip Edilen252 Takipçiler

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Roberto Di Remigio@_boberto_·24 Eyl

CMake Cookbook by @__radovan and me now out on @PacktPub! Building, testing, and packaging modular software with modern CMake. Get the code: github.com/dev-cafe/cmake… Get the book: packtpub.com/application-de… Big shoutout @travisci @appveyor @circleci 🎊🎉🍾

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ENCCS - EuroCC National Competence Centre Sweden@EuroCC_Sweden·21 Ara

Are you interested in working with us? We have two positions open! 📢Spread the word! 👨‍💻HPC Expert (Stockholm or Luleå) ri.se/sv/jobba-hos-o… 🧑‍💼Business Developer (Stockholm) ri.se/sv/jobba-hos-o…

ENCCS - EuroCC National Competence Centre Sweden tweet media

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Pierre-Francois Loos@TitouLoos·21 Ara

[2312.12530] Rationale for the Extrapolation Procedure in Selected Configuration Interaction #compchem arxiv.org/abs/2312.12530

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Filippo Lipparini@Fil_Lipparini·18 Ara

Congratulations to @DavideCianchino for defending his master thesis (woth honors) on the implementation of Cholesky Decomposition for a spin-free Dirac Coulomb relativistic hamiltonian! @MolecolabPisa

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Filippo Lipparini@Fil_Lipparini·12 Ara

Can we improve at how we solve linear response equations? After a few decades from the seminal work of Olsen et al., and then Stratmann et al. for DFT, turns out that the answer is yes! @r_alessandro2 @fedepse @T_Nottoli doi.org/10.1021/acs.jc…

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Mathieu Linares ⏚@matmirulimarrj·27 Kas

Very happy to announce our software VIAMD for Visual Interactive Analysis of #moleculardynamics in @JCIM_JCTC. pubs.acs.org/doi/10.1021/ac… #compchem. VIAMD is available on @github github.com/scanberg/viamd

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Pierre-Francois Loos@TitouLoos·10 Kas

[2311.05351] The $GW$ Approximation: A Quantum Chemistry Perspective #compchem arxiv.org/abs/2311.05351

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Filippo Lipparini@Fil_Lipparini·26 Eki

A Quasi Time-reversible guess for Born-Oppenheimer MD that affords energy conservation and outperforms even our latest G-Ext? Check it out (Open Access) on J. Phys. Chem. Lett.! @fedepse @patrizia_mazzeo @ChemUniPi @JPhysChem #compchem doi.org/10.1021/acs.jp…

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Molecolab Pisa@MolecolabPisa·11 Eki

⌛️⏰ Only a few days left to apply! 🗓️ #PhDposition #compchem #photosynthesis

Molecolab Pisa@MolecolabPisa

Come work with us! #compchem #PhDposition available for working on multiscale modeling of #photosynthesis. Funded by @MSCActions More info: molecolab.dcci.unipi.it/165-phd-positi… constructor.university/photocam

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Jean-Philip Piquemal@jppiquem·19 Eyl

#compchem Good read: A fast, dense Chebyshev solver for electronic structure on GPUs doi.org/10.1063/5.0164…

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Abhik Ghosh@abhikghosh·7 Eyl

The Beacon (Fyrtårn) project on STEM Education (en.uit.no/project/susste…) and @hylleraas will be hosting twin semipopular lectures on The Periodic Table by two leading experts on the subject on 13/9. The scientifically inclined community at @UiTNorgesarktis and beyond are cordially invited. Please RT.

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Derk Kooi@DerkKooi·2 Eyl

Note also that the code and data are now released at @github github.com/DerkKooi/jaxsce and @ZENODO_ORG doi.org/10.5281/zenodo…

Paola Gori-Giorgi@paolagorigiorgi

New version of our work on the large N limit of atoms! With more accurate data and new insights. Great work by @kjdaas and @DerkKooi #compchem arxiv.org/abs/2211.07512

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Péter Nagy@nagyrpeter·28 Ağu

New, 2023 version of the MRCC #compchem package is released today at mrcc.hu open-source for academic use! Thanks for the developer team for the great contributions! (If interested, you can join us for a PhD or postdoc here: fkt.bme.hu/~theoreticalch…)

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ENCCS - EuroCC National Competence Centre Sweden@EuroCC_Sweden·28 Ağu

If you are looking for a master program 💥 where you study about cutting edge #HPC technologies, 📜 with a double degree from two of the best universities in Europe, 🏢 where you network with industry and academic professionals, then apply at the EUMaster4HPC!👇

EUMaster4HPC@EUMaster4HPC

Don't miss out on this chance to be a part of the first pan European High Performance Computing master's program! Apply Now!!

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Nature Reviews Chemistry@NatRevChem·9 Ağu

Ab initio quantum chemistry with neural-network wavefunctions nature.com/articles/s4157… A review by @jhrmnn, @exp_n, K. Choo, @A_Mezzacapo, W.M.C. Foulkes, @pfau, @gppcarleo & @FrankNoeBerlin from @FU_Berlin, @UZH_en, @imperialcollege, @EPFL_en, @RiceUniversity

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Blob@BlobRai3·8 Ağu

LA SINDROME DI ... "COCOMERO"(!?). Campagna "promozionale" del Ministero dell'Agricoltura, della Sovranità alimentare e delle Foreste.... (Nella foto meme da tempo circolante in rete). Alle 20.00 nuova puntata di #blob....

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Pierre-Francois Loos@TitouLoos·4 Ağu

[2308.01664] Reduced Scaling Real-Time Coupled Cluster Theory #compchem arxiv.org/abs/2308.01664

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Molecolab Pisa@MolecolabPisa·31 Tem

A robust, open-source implementation of LOBPCG for large eigenvalue problems in quantum chemistry: check out our new #openaccess paper! @T_Nottoli @Fil_Lipparini #compchem link.springer.com/article/10.100…

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Paolo Gerbaudo@paologerbaudo·30 Tem

Carina questa scena della Pimpa che chiede a un liberale italico quale sia la soluzione al cambiamento climatico.

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Janus Juul Eriksen@JanusEriksen·25 Tem

Final announcement. Deadline in under a week.

Janus Juul Eriksen@JanusEriksen

📢 PhD position in my group @DTUtweet 📢. This @DFF_raad project is concerned with the use of decomposed mean-field theory for accelerating QM/MM simulations of light-matter interactions. Please get in touch for further details. RTs appreciated. efzu.fa.em2.oraclecloud.com/hcmUI/Candidat…

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Charlie Marsh@charliermarsh·22 Tem

From the Ruff Discord: how it started / how it's going

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Keşfet

@DavideCianchino @MolecolabPisa @r_alessandro2 @fedepse @T_Nottoli @JCIM_JCTC @github @patrizia_mazzeo