Pepe Márquez
@pepe-marquez.bsky.social
Materials Scientist at Humboldt University of Berlin | @fairmat.bsky.social | #NOMAD (https://nomad-lab.eu/nomad-lab/).
In the end, we didn't find a bad place to run the #LLMHackthon for materials and chemistry kn Berlin. 🖖
September 11, 2025 at 6:04 AM
In the end, we didn't find a bad place to run the #LLMHackthon for materials and chemistry kn Berlin. 🖖
It 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.
May 28, 2025 at 8:14 AM
It 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.
We 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 🍕!
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 🍕!
May 19, 2025 at 8:49 AM
We 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 🍕!
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 🍕!
Guess what! It only worked when I clicked twice.
April 29, 2025 at 1:27 PM
Guess what! It only worked when I clicked twice.
There seems to be a massive electrical blackout in the WHOLE Spain 😱 (!!)
April 28, 2025 at 11:24 AM
There seems to be a massive electrical blackout in the WHOLE Spain 😱 (!!)
Reposted by Pepe Márquez
📣 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
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
April 16, 2025 at 12:38 PM
📣 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
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
Just 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.
April 10, 2025 at 3:03 PM
Just 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.
I 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!
@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!
March 19, 2025 at 10:30 AM
I 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!
@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!
Reposted by Pepe Márquez
In 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... #ChemSky
Hydrogen-enhanced carrier collection enabling wide-bandgap Cd-free Cu2ZnSnS4 solar cells with 11.4% certified efficiency - Nature Energy
The 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...
www.nature.com
February 5, 2025 at 10:27 AM
In 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... #ChemSky
@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.org/en/content/a...
Commit: Mini article for dynamic reporting of incremental improvements to previous scholarly work
Introducing Commit, a new article type at Digital Discovery intended for reporting incremental improvements on work previously published in the journal.
pubs.rsc.org
January 23, 2025 at 11:23 PM
@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.org/en/content/a...
Reposted by Pepe Márquez
📢 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...
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...
January 16, 2025 at 10:15 AM
📢 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...
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...
Reposted by Pepe Márquez
For 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/
January 7, 2025 at 4:23 PM
For 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/
Some cool adidas Berliner socks happening 🏃🏻💨
January 7, 2025 at 11:10 AM
Some cool adidas Berliner socks happening 🏃🏻💨
Reposted by Pepe Márquez
ML 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
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
January 6, 2025 at 1:25 PM
ML 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
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
It 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
NOMAD Discord: discord.gg/Gyzx3ukUw8
January 6, 2025 at 12:46 PM
It 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
NOMAD Discord: discord.gg/Gyzx3ukUw8
Our 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! 👇
📝 Paper: pubs.rsc.org/en/content/a...
💻 JupyterHub: t1p.de/matextract-cpu
📚 Online book: matextract.pub
📽️ intro from @kjablonka.com! 👇
January 3, 2025 at 8:46 AM
Our 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! 👇
📝 Paper: pubs.rsc.org/en/content/a...
💻 JupyterHub: t1p.de/matextract-cpu
📚 Online book: matextract.pub
📽️ intro from @kjablonka.com! 👇
Reposted by Pepe Márquez
We’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 📢
We combine ab-initio methods and machine learning to design innovative materials for energy applications. ⚡
Follow us and repost 📢
December 20, 2024 at 3:12 PM
We’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 📢
We combine ab-initio methods and machine learning to design innovative materials for energy applications. ⚡
Follow us and repost 📢
Some statistis on the number of 'perovskite solar cells' published in jounrals up to 2022. Journal of Materials Chemistry A clearly on the lead!
December 20, 2024 at 8:35 AM
Some statistis on the number of 'perovskite solar cells' published in jounrals up to 2022. Journal of Materials Chemistry A clearly on the lead!
Reposted by Pepe Márquez
A 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
- Fine-tuned machine learning force field MACE-DAC
- Integrated simulation package DAC-SIM
chemrxiv.org/engage/chemr...
#CompChemSky #ChemSky
December 16, 2024 at 8:57 AM
A 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
- Fine-tuned machine learning force field MACE-DAC
- Integrated simulation package DAC-SIM
chemrxiv.org/engage/chemr...
#CompChemSky #ChemSky
Reposted by Pepe Márquez
December 14, 2024 at 7:11 PM
amazing to have @ryanhunn.bsky.social and my @stadio.bsky.social friends in this platform 🥹
December 11, 2024 at 4:34 PM
amazing to have @ryanhunn.bsky.social and my @stadio.bsky.social friends in this platform 🥹
Reposted by Pepe Márquez
Interested 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
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
December 4, 2024 at 3:40 PM
Interested 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
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
Reposted by Pepe Márquez
We 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.
December 4, 2024 at 5:50 PM
We 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.
Reposted by Pepe Márquez
The 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
🚨 Last day to register ▶️ www.psdi.ac.uk/event/webina... 🚨
#psdi #FAIRmat #webinar #nomad #event #freeevent #registernow
December 4, 2024 at 7:47 AM
The 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
🚨 Last day to register ▶️ www.psdi.ac.uk/event/webina... 🚨
#psdi #FAIRmat #webinar #nomad #event #freeevent #registernow