Hartree-Foca

Official Mascot of the @carles_bo group at @ICIQChem.
I love Hartree-Fock too. Tweeting about our #compchem projects, @ioChem_BD, and more …

[ioChem-BD @ioChem_BD]

We have surpassed 400,000 indexed items!

[Hartree-Foca @HartreeFoca]

Today we published (embargoed) https://t.co/htSL1dXhbM @ioChem_BD about Tc (Technetium) chemistry. Also, uma-ase v0.6.0 https://t.co/mIrO2rVsgO, a tool coded by #ChatGPT for using & benchmarking AI/ML UMA (from @AIatMeta) & #ase. Software making software for science ?🤯@ICIQchem

[ioChem-BD @ioChem_BD]

Keep up the good work! We'll soon reach 1,000 collections

[Hartree-Foca @HartreeFoca]

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 !! 😢😘😘😘

[ICIQ @ICIQchem]

#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 🔗 https://t.co/zOcYX879fg

@Carles_Bo #POMSimulator
@J_A_C_S

[Hartree-Foca @HartreeFoca]

🔴 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)

🔗 https://t.co/hQVw9R2zFd

#compchem @ICIQchem

[Hartree-Foca @HartreeFoca]

🔴 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)

🔗 https://t.co/hQVw9R2zFd

#compchem @ICIQchem

[Bess Vlaisavljevich @bessvlai]

I'm hiring a postdoc! Come join us and model actinides. @uiowa is a great place to learn radiochemistry! #chempostdoc #compchem @Chemjobber https://t.co/9bnB0S1Hnq

[Carles Bo @Carles_Bo]

Habemus Thesis !! So nice work by #JordiBuils, thanks to @dgarayru and past @HartreeFoca members. POMSimulator is hitting again !! @ICIQchem @irn_ms @POMpubs 😀

[Hartree-Foca @HartreeFoca]

New preprint article just made available📰 at @ChemRxiv, on a (potentially universal) methodology for scaling the equilibrium constants of polyoxometalates! 💻⚗️@iciqchem
#compchem #pomsimulator
https://t.co/L8nrVBRius

[ICIQ @ICIQchem]

#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🔗https://t.co/MZxoxoxVPF

@ChemicalScience #ChemSciPicks @HartreeFoca

[ICIQ @ICIQchem]

#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🔗https://t.co/pQoWopT34y

@RSEQUIMICA @YoungChemists

[Diego @dgarayru]

Glad to have shared the latest advancements on @ioChem_BD and CRN-KGs at #ECC9 (in surprisingly sunny Dublin) @HartreeFoca

[TheorHetCat ICIQ @TheorHetCatICIQ]

The @ioChem_BD stand at @espa2024 remember
#wecanbeyour_DMP
@MaserasGroup @HartreeFoca

[Enric Petrus @Enric_Petrus]

🧵 (1/3) We have just published an Open Access 🔓software note on @WileyCTChem featuring the first public release of POMSimulator 💻

https://t.co/zue4uWsZM2

This is a methodology for predicting the aqueous speciation of polyoxometalates based on quantum mechanical calculations

[ICIQ @ICIQchem]

#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🔗https://t.co/e5wNAeEjrN

@RSEQUIMICA

[ICIQ @ICIQchem]

#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🔗https://t.co/O5eG6FLS1l

@RSEQUIMICA

[ICIQ @ICIQchem]

#ICIQJobs

⚠️ ICIQ Fully-Funded PhD Programme is the opportunity you are looking for!

🔹Research guided by world-renowned Group Leaders
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🔹Gain comprehensive training

APPLY NOW 🔗https://t.co/vsSO3HbDtU

@RSEQUIMICA @iCERCA @SOMM_alliance

[Hartree-Foca @HartreeFoca]

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

[Carles Bo @Carles_Bo]

“As if traversing a tunnel of time …” Look the nice cover of our latest paper “Multi-Time-Scale Simulation …” https://t.co/C7qsKGNM03, artwork by #laiaplana @ICIQchem, @dgarayru @HartreeFoca, and @Dalle2Pics. 🥰#compchem #MyACSCover @J_A_C_S