Pepe Márquez @pepe-marquez.bsky.social · 11/09/2025In the end, we didn't find a bad place to run the #LLMHackthon for materials and chemistry kn Berlin. 🖖 040
Pepe Márquez @pepe-marquez.bsky.social · 28/05/2025It is very much fun to be back the #EMRS2025! Lots of interesting research and discussions. Sadly, we are also seeing a lot of no-shows in many sessions 😔. It is the first time I have seen this at this scale in a major conference. 000
Pepe Márquez @pepe-marquez.bsky.social · 19/05/2025We are organizing a cool workshop on research data management for PV research with NOMAD Oasis in Berlin! Registration link and tentative program: events.fairmat-nfdi.eu/event/42/ It's free, with cool people driving the digitalization of research, and there will be 🍕! 020
Pepe Márquez @pepe-marquez.bsky.social · 29/04/2025Guess what! It only worked when I clicked twice. 120
Pepe Márquez @pepe-marquez.bsky.social · 28/04/2025There seems to be a massive electrical blackout in the WHOLE Spain 😱 (!!) 010
Reposted by Pepe Márquez FAIRmat @fairmat.bsky.social · 16/04/2025📣 Meet #FAIRmat at #EMRS2025 in Strasbourg (May 26-30)! Visit us at booth 35 & don’t miss the talks by @pepe-marquez.bsky.social and Hampus Näsström. 👉 Check our website for more details: www.fairmat-nfdi.eu/fairmat/even... #EMRS #RDM #NFDI 012
Pepe Márquez @pepe-marquez.bsky.social · 15/04/2025Taking some days off in Spain after a super interesting #AI4AM in San Sebastián. What a conference and what a city! 110
Pepe Márquez @pepe-marquez.bsky.social · 10/04/2025Just finished the exciting #AI4AM2025 conference in San Sebastián — learned a lot! I loved seeing recognition for people developing open-source tools for the community. Even if these tools don’t always lead to immediate breakthroughs, they’re incredibly important for enabling everyday science. 130
Pepe Márquez @pepe-marquez.bsky.social · 19/03/2025I just had the pleasure of listening to @txie.bsky.social talk about the wonders of MatterSim and MatterGen in Berlin. I think I heard correctly that for their calculations they get something of the order of 5000-10000 GPUs/CPUs in Azure for a couple of weeks! 😳🤯 Exciting times! 020
Reposted by Pepe Márquez Aron ⇋ e⁻ @aronwalsh.github.io · 05/02/2025In 2020, we predicted that hydrogen doping could be key to overcoming the efficiency bottleneck of kesterite solar cells pubs.rsc.org/en/content/a.... It's neat to see the strategy working for Cu₂ZnSnS₄ in 2025! www.nature.com/articles/s41... #ChemSkynature.comHydrogen-enhanced carrier collection enabling wide-bandgap Cd-free Cu2ZnSnS4 solar cells with 11.4% certified efficiency - Nature EnergyThe power conversion efficiency of wide-bandgap pure-sulfide kesterite is low. Wang et al. propose annealing in a hydrogen-containing atmosphere and report the underlying mechanism that enables a cert... 2121
Pepe Márquez @pepe-marquez.bsky.social · 23/01/2025@digital-discovery.bsky.social new submission category commit -m "is a great idea". Congrats to the editors and collaborators behind the initiative! @aspuru.bsky.social @joshuaschrier.bsky.social and @jasonhein.bsky.social 🙌🙌 pubs.rsc.org/en/content/a...pubs.rsc.orgCommit: Mini article for dynamic reporting of incremental improvements to previous scholarly workIntroducing Commit, a new article type at Digital Discovery intended for reporting incremental improvements on work previously published in the journal. 240
Reposted by Pepe Márquez Claudio Zeni @claudiozeni.bsky.social · 16/01/2025📢 Paper + code release 📃💻 After 2 years of work, I'm excited to announce our newest paper, MatterGen, has been published in Nature! www.nature.com/articles/s41... We are also releasing all the training data, model weights, model code, and evaluation code on GitHub! github.com/microsoft/ma...github.comGitHub - microsoft/mattergen: Official implementation of MatterGen -- a generative model for inorganic materials design across the periodic table that can be fine-tuned to steer the generation towards...Official implementation of MatterGen -- a generative model for inorganic materials design across the periodic table that can be fine-tuned to steer the generation towards a wide range of property c... 27921
Reposted by Pepe Márquez Cathleen Crudden @cathleencrudden.bsky.social · 07/01/2025For all those providing reviews of scientific papers–firstly, thank you. We would not have a useful scientific literature without you. Secondly, please keep in mind that your reviews are read not only by the PIs but also students. There is no place for anger or impolite language in a review.... 1/ 36222
Reposted by Pepe Márquez Seán Kavanagh @kavanaghsean.bsky.social · 06/01/2025ML can be powerful for understanding defects, but currently sufficient only in select cases MLFFs (& geometric/electrostatic tools in doped) allow screening challenging 'non-local' defect reconstructions (split vacancies) in all ICSD/MP solids, w/caveats arxiv.org/abs/2412.19330 #CompChem #chemsky 1153
Pepe Márquez @pepe-marquez.bsky.social · 06/01/2025It is super exciting to see how our #NOMAD Discord community is growing, full of people wanting to share data, raise issues, develop plugins and customize their NOMAD Oasis. It has also been great for us to provide better and faster support to the community. NOMAD Discord: discord.gg/Gyzx3ukUw8 010
Pepe Márquez @pepe-marquez.bsky.social · 03/01/2025Our data extraction tutorial is now online in Chem. Soc. Rev. The notebooks can be run using the #jupyter4nfdi service from #base4nfdi. 📝 Paper: pubs.rsc.org/en/content/a... 💻 JupyterHub: t1p.de/matextract-cpu 📚 Online book: matextract.pub 📽️ intro from @kjablonka.com! 👇pubs.rsc.orgFrom text to insight: large language models for chemical data extractionThe vast majority of chemical knowledge exists in unstructured natural language, yet structured data is crucial for innovative and systematic materials design. Traditionally, the field has relied on m... 0236
Reposted by Pepe Márquez Botti-Marques research group @beautifulmaterials.bsky.social · 20/12/2024We’re very happy to launch our social media page of our combined research groups, led by Professors Silvana Botti and Miguel Marques, at Ruhr University Bochum! 🌟 We combine ab-initio methods and machine learning to design innovative materials for energy applications. ⚡ Follow us and repost 📢 0123
Pepe Márquez @pepe-marquez.bsky.social · 20/12/2024Some statistis on the number of 'perovskite solar cells' published in jounrals up to 2022. Journal of Materials Chemistry A clearly on the lead! 180
Reposted by Pepe Márquez Aron ⇋ e⁻ @aronwalsh.github.io · 16/12/2024A holiday treat for direct air capture of CO₂ with metal-organic frameworks 🎄 A #preprint led by @hspark1212.bsky.social & @yunsunglim.bsky.social with: - Fine-tuned machine learning force field MACE-DAC - Integrated simulation package DAC-SIM chemrxiv.org/engage/chemr... #CompChemSky #ChemSky 1296
Reposted by Pepe Márquez Sevilla FC @sevillafc.bsky.social · 14/12/2024❤️ Gracias, Jesús 👏🏻 #DespedidadeLeyenda 18120
Pepe Márquez @pepe-marquez.bsky.social · 11/12/2024amazing to have @ryanhunn.bsky.social and my @stadio.bsky.social friends in this platform 🥹 010
Reposted by Pepe Márquez Iván Mora-Seró @ivanmorasero.bsky.social · 04/12/2024Interested in Halide Perovskites, Solar Cells and Optoelectronic devices? We are hiring!!!! Research support specialists staff: euraxess.ec.europa.eu/jobs/294758 PhD Student: euraxess.ec.europa.eu/jobs/294749 Postdoc: euraxess.ec.europa.eu/jobs/294751 Deadline Dec 12 @sofiamasi.bsky.social 01410
Reposted by Pepe Márquez pythonf.bsky.social @pythonf.bsky.social · 04/12/2024We wanted to make sure it is for everyone to use and also raises interest in the community to add new ways to evaluate MLIPs to gain new insights. The decision to make it open source and MIT licensed was made before we even started developing it. 022
Reposted by Pepe Márquez PSDI - Physical Sciences Data Infrastructure @psdi-uk.bsky.social · 04/12/2024The Introduction to NOMAD Webinar with Hampus Näsström of @fairmat.bsky.social starts tomorrow! 🚨 Last day to register ▶️ www.psdi.ac.uk/event/webina... 🚨 #psdi #FAIRmat #webinar #nomad #event #freeevent #registernow 022
Reposted by Pepe Márquez Microsoft Research @msftresearch.bsky.social · 03/12/2024We're thrilled to announce the release of MatterSimV1-1M and MatterSimV1-5M on GitHub. These cutting-edge models are now available for researchers, developers, and innovators to explore, customize and build upon. github.com/microsoft/ma... 0167
Reposted by Pepe Márquez Kevin Jablonka @kjablonka.com · 27/11/2024Our multimodal follow-up to ChemBench. Our team went to the lab to create images to challenge leading vision language models. Check the paper arxiv.org/abs/2411.16955 to learn more.arxiv.orgProbing the limitations of multimodal language models for chemistry and materials researchRecent advancements in artificial intelligence have sparked interest in scientific assistants that could support researchers across the full spectrum of scientific workflows, from literature review to... 0237
Reposted by Pepe Márquez Philippe Schwaller @pschwllr.bsky.social · 02/12/2024We are hiring (resharing appreciated)! Given recent successful grant applications (I got my SNSF Starting Grant 🚀), we are extending the LIAC team with multiple openings (PhD/postdoc) for 2025. Apply now (deadline: December 20th) by filling in this form: forms.fillout.com/t/eq5ADAw3kkus. #ChemSky 610271
Pepe Márquez @pepe-marquez.bsky.social · 02/12/2024Pass by and say hello to Lukas and Aboma at the QYB booth (330)! #F24MRS 020
Reposted by Pepe Márquez Jablonka Lab (Lab for AI for Materials) @jablonkagroup.bsky.social · 27/11/2024Are Vision Language Models ready for scientific research? 🧑🔬🧪 We compared leading VLLMs on the three pillars of chemical and material science discovery: data extraction, lab experimentation and data interpretation. arxiv.org/abs/2411.16955 1114
Pepe Márquez @pepe-marquez.bsky.social · 26/11/2024It was amazing to be part of it and organize the Berlin @fairmat.bsky.social hub 💙 061
Pepe Márquez @pepe-marquez.bsky.social · 21/11/2024Yaaaay! Now we have NOMAD Oasis and NOMAD CAMELS stickers for next week's FAIRmat meeting! 040
Reposted by Pepe Márquez Aron ⇋ e⁻ @aronwalsh.github.io · 20/11/2024One metric I can get behind is GFlop/Watt. The new #Green500 list for the most power-efficient public supercomputers is out. Go 🇪🇺! #CompChem #CompChemSky top500.org/lists/green5... 1197
Reposted by Pepe Márquez FAIRmat @fairmat.bsky.social · 07/11/2024Our fifth FAIRmat Users Meeting takes place on November 27, 2024, in Berlin. The detailed program is out now. Have a look and register to join us for the latest updates to the NOMAD ecosystem and exchange with the community of NOMAD users and our developers. events.fairmat-nfdi.eu/event/28/ 042
Pepe Márquez @pepe-marquez.bsky.social · 18/11/2024🙏 no more papers using SCAPS as a tool for materials screening for solar cells 🙏 131
Pepe Márquez @pepe-marquez.bsky.social · 16/11/2024Just came back from a great week visiting our colleagues from #NREL and #CUBoulder discussing common efforts on perovskite research. Had some time to even go for a hike! 030
Pepe Márquez @pepe-marquez.bsky.social · 12/02/2024We are running a NOMAD tutorial on Wednesday. Introduction to Research Data Management with NOMAD. - Some intro slides by Markus - Follow along Jupyter Notebook tutorial with Lauri! 🧾Registration here: events.fairmat-nfdi.eu/event/10/ 020
Pepe Márquez @pepe-marquez.bsky.social · 08/02/2024We are running some scheduled maintenance in NOMAD. Services will be down for a couple of hours. 000
Reposted by Pepe Márquez FAIRmat @fairmat.bsky.social · 18/12/2023The 4th edition of the FAIRmat Newsletter is now available for download, just in time for the holiday season! 🎁 Dive into the latest updates from FAIRmat. ⬇️ Download your copy now: fairmat-nfdi.eu/fairmat/outr... 042
Pepe Márquez @pepe-marquez.bsky.social · 21/12/2023Nice nice! Some cool DFT calculations on BaZrS3 chalcogenide perovskites just made it to #NOMAD courtesy of Prakriti Kayastha and Lucy Whalley powered by @fhi-aims.bsky.social 010
Pepe Márquez @pepe-marquez.bsky.social · 09/11/2023Yeeeeah! We have FAIRmat and NOMAD stickers. 💙 020
Pepe Márquez @pepe-marquez.bsky.social · 31/10/2023Incentives like these are more than needed in the community. What a great idea! Plenty of unsung heroes behind amazing datasets. 010
Pepe Márquez @pepe-marquez.bsky.social · 30/10/2023Our friends from @nfdi4chem.de are already here! Give them a follow! 120
Pepe Márquez @pepe-marquez.bsky.social · 17/10/2023📢 Job Alert! Looking for a developer/materials scientist (TV-L E13) for an exciting European project on CIGSe/Perovskites flexible tandems. Main task: #NOMAD development for all the relevant experimental workflows. link👉: www.fairmat-nfdi.eu/jobs/researc... 001
Pepe Márquez @pepe-marquez.bsky.social · 17/10/2023Let's get this account moving! I am an experimental materials scientist working on data topics at Humboldt University of Berlin. I am the Scientific Coordinator of an amazing project called FAIRmat (www.fairmat-nfdi.eu/fairmat) and we are developing NOMAD (nomad-lab.eu).fairmat-nfdi.euFAIRmat - FAIRmat 121