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Ever wanted to know how do polyoxometalates form? This big challenge took us years to solve it, and here is the outcome of multiple efforts, just published in J. Am. Chem. Soc.. 💪🥰 🍾🎊🎉

Heading to #ACSFall2023! Time to share chemistry in the beautiful San Francisco 🌉 with Diego from Hartree-Foca group. Also meeting Feliu there ICIQ Stay tuned to know more about our talks! 🕔 #compchem

If you are interested in an open platform for the #compchem repository ioChem-BD, don't miss Feliu's talk! 📍Nikko I, Hotel Nikko San Francisco 🕔 9.35 PT ICIQ #ACSFall2023

Job done ! #euchemscompchem2023 ⁦Hartree-Foca⁩ ⁦ICIQ⁩ ⁦ioChem-BD⁩

“As if traversing a tunnel of time …” Look the nice cover of our latest paper “Multi-Time-Scale Simulation …” pubs.acs.org/doi/10.1021/ja…, artwork by #laiaplana ICIQ, Diego Hartree-Foca, and Best Dalle2 Pics. 🥰#compchem #MyACSCover J. Am. Chem. Soc.

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 … 😉 ICIQ

#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/3215451-i… RSEQ Centres CERCA SOMM alliance

#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/3668098-i… RSEQ

#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/4501344-i… RSEQ

🧵 (1/3) We have just published an Open Access 🔓software note on Wiley Comp/Theo Chem featuring the first public release of POMSimulator 💻 onlinelibrary.wiley.com/doi/epdf/10.10… This is a methodology for predicting the aqueous speciation of polyoxometalates based on quantum mechanical calculations

The ioChem-BD stand at ESPA2024 remember #wecanbeyour_DMP Maseras Group Hartree-Foca

#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/4634667-i… RSEQ EYCN

Glad to have shared the latest advancements on ioChem-BD and CRN-KGs at #ECC9 (in surprisingly sunny Dublin) Hartree-Foca

#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-computatio… Chemical Science #ChemSciPicks Hartree-Foca

New preprint article just made available📰 at ChemRxiv, on a (potentially universal) methodology for scaling the equilibrium constants of polyoxometalates! 💻⚗️ICIQ #compchem #pomsimulator doi.org/10.26434/chemr…

Habemus Thesis !! So nice work by #JordiBuils, thanks to Diego and past Hartree-Foca members. POMSimulator is hitting again !! ICIQ POMsIRN POM papers 😀

I'm hiring a postdoc! Come join us and model actinides. University of Iowa is a great place to learn radiochemistry! #chempostdoc #compchem Chemjobber jobs.uiowa.edu/postdoc/view/4…

🔴 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… #compchem ICIQ

#ICIQNews 🖥️Researchers from ICIQ and the University of Copenhagen integrate digital models and synchrotron-based experiments to better predict the formation of polyoxometalates under hydrothermal conditions Read more 🔗 iciq.org/new/combining-… Carles Bo #POMSimulator J. Am. Chem. Soc.