Official Mascot of the @carles_bo group at @ICIQChem. I love Hartree-Fock too. Tweeting about our #compchem projects, @ioChem_BD, and more …
Tarragona
Joined June 2020
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Hartree-Foca retweeted
Our recent work on #SURFXsim has been featured as an Inside Cover Artwork in JCTC! 😊
➡️ Read the paper (open access) here: lnkd.in/dtq-ChMJ
#compchem #MolecularDynamics #EnhancedSampling #Metadynamics #spin #quantumchemistry
Today we published (embargoed) doi.org/10.19061/iochem-bd-1… @ioChem_BD about Tc (Technetium) chemistry. Also, uma-ase v0.6.0 gitlab.com/carlesbo/uma-ase, a tool coded by #ChatGPT for using & benchmarking AI/ML UMA (from @AIatMeta) & #ase. Software making software for science ?🤯@ICIQchem
Jordi’s last day in the Lab. Desk already clean. Thanks for all. Moltes gracis !! We learned a lot from you, Dr. Buils. Very Best luck !! 😢😘😘😘
Hartree-Foca retweeted
#ICIQNews
🖥️Researchers from ICIQ and the @uni_copenhagen integrate digital models and synchrotron-based experiments to better predict the formation of polyoxometalates under hydrothermal conditions
Read more 🔗 iciq.org/new/combining-compu…
@Carles_Bo #POMSimulator
@J_A_C_S
Hartree-Foca retweeted
🔴 What’s new in POMSimulator v2.0.0?
1⃣ Support for heteropolyoxometalates
2⃣ Large-scale statistical workflow
3⃣ New scaling methodologies
📦🐍 Open-source and usable out of the box (only git clone and pip install required)
🔗 doi.org/10.5281/zenodo.15301…
#compchem @ICIQchem
🔴 What’s new in POMSimulator v2.0.0?
1⃣ Support for heteropolyoxometalates
2⃣ Large-scale statistical workflow
3⃣ New scaling methodologies
📦🐍 Open-source and usable out of the box (only git clone and pip install required)
🔗 doi.org/10.5281/zenodo.15301…
#compchem @ICIQchem
Hartree-Foca retweeted
I'm hiring a postdoc! Come join us and model actinides. @uiowa is a great place to learn radiochemistry! #chempostdoc #compchem @Chemjobber jobs.uiowa.edu/postdoc/view/…
Hartree-Foca retweeted
Habemus Thesis !! So nice work by #JordiBuils, thanks to @dgarayru and past @HartreeFoca members. POMSimulator is hitting again !! @ICIQchem @irn_ms @POMpubs 😀
New preprint article just made available📰 at @ChemRxiv, on a (potentially universal) methodology for scaling the equilibrium constants of polyoxometalates! 💻⚗️@iciqchem
#compchem #pomsimulator
doi.org/10.26434/chemrxiv-20…
Hartree-Foca retweeted
#ICIQNews
🔶Researchers from Prof. @Carles_Bo group describe a computational methodology that simulates complex processes that lead to the formation of nanostructures called polyoxometalates (#POMs)
Read more🔗iciq.org/new-computational-m…
@ChemicalScience #ChemSciPicks @HartreeFoca
Hartree-Foca retweeted
#ICIQJobs
🎓Grants for the ICIQ Master Projects Fellowship are open!
Why apply?
🔹Dive into cutting-edge research
🔹Access state-of-the-art facilities
🔹Work with top scientists
🔹Conduct your own research project
Info🔗careers.iciq.org/jobs/463466…
@RSEQUIMICA @YoungChemists
Hartree-Foca retweeted
Glad to have shared the latest advancements on @ioChem_BD and CRN-KGs at #ECC9 (in surprisingly sunny Dublin) @HartreeFoca
Hartree-Foca retweeted
🧵 (1/3) We have just published an Open Access 🔓software note on @WileyCTChem featuring the first public release of POMSimulator 💻
onlinelibrary.wiley.com/doi/…
This is a methodology for predicting the aqueous speciation of polyoxometalates based on quantum mechanical calculations
Hartree-Foca retweeted
#ICIQJobs
➡️Ready to transform the world of #chemistry?
The 2nd call for our Fully-Funded #PhD Programme is open!
🧑🔬 Projects with leading experts
🌍 Stays at top international institutions
📚 Comprehensive training
Apply here🔗careers.iciq.org/jobs/450134…
@RSEQUIMICA
Hartree-Foca retweeted
#ICIQMaster
🎓 Passionate about chemistry research?
🚀Join ICIQ's Master Projects Fellowship Programme!
👨🔬Work on individual master research projects with renowned group leaders and thrive in a stimulating scientific environment
Info🔗careers.iciq.org/jobs/366809…
@RSEQUIMICA
Hartree-Foca retweeted
#ICIQJobs
⚠️ ICIQ Fully-Funded PhD Programme is the opportunity you are looking for!
🔹Research guided by world-renowned Group Leaders
🔹Explore international opportunities
🔹Gain comprehensive training
APPLY NOW 🔗careers.iciq.org/jobs/321545…
@RSEQUIMICA @iCERCA @SOMM_alliance
Today we say “Thanks & Good Luck” to #AlfonsoRoldán, our summer fellow this year, who helped us to solve chemical puzzles using graphs & python. Bright work. A new tool is coming … 😉 @ICIQchem
