Sailing wing-on-wing, trying to maximize the existing wind 💪🏼👏🏼

#sailing #Bavaria33 #Alicante

Not the best day for #sailing today, so beautiful bay and views from #Benidorm to #Alicante 🌬️ 🌊 🏔️

Pivoting to undock the boat, beautiful views of #Alicante 😀☀️

#sailing #Babaria33

a man with glasses and suspenders is standing in front of a group of people and says science !! ALT: a man with glasses and suspenders is standing in front of a group of people and says science !!

Good news from the Quantum Chemistry group of @ua.es

The local call for funding situated (again!) among the top-3 best performers, a classification strictly based on publications indexed (Web of Science)

@chemortuno.bsky.social

#theochem #compchem #quantumchem

Lectures (3 ECTS, syllabus here 👇🏼) on quantum modelling finished!

Time to continue with undergraduate teaching about computational chemistry and molecular spectroscopy 💪🏼

@ua.es #theochem #compchem #quantumchem

Another Sunday of #sailing with a #Bavaria33

Light S-SE wind, but we managed to reach up to 3.5 knots sailing close-hauled.

EPSRC DTP - Automated mechanistic studies in catalysis with quantum chemistry and machine learning at The University of Manchester on FindAPhD.com PhD Project - EPSRC DTP - Automated mechanistic studies in catalysis with quantum chemistry and machine learning at The University of Manchester, listed on FindAPhD.com

PhD opening in Trujillo Group @manchester.ac.uk
Fully funded EPSRC DTP on automated mechanistic studies in catalysis!
Collab Dr Alegre-Requena (Zaragoza).
July/Oct 2026 start.

Details/apply: www.findaphd.com/phds/project...

#phd #catalysis #compchem #ml

@cortogantese.bsky.social congrats and thank you very much for your kind email 👏🏼

The team of Editors of Theor. Chem. Acc. (@springernature.com) is pleased to present the Editor’s Choice Collection (high-quality and relevant manuscripts) for the first quarter of the year 2026. Congratulations to all authors!

link.springer.com/collections/...

#theochem #compchem #quantumchem

Yep, this is what you think it is! 😳
At least you know at what Faculty you are! 😂😅

Computational Chemistry can be very noisy 😅😬

Teaching today at @ua.es about #DFT calculations of weakly bound systems, using @orca-qc-official.bsky.social and @avogadro.cc

#compchem #theochem #quantumchem

#sailing #Alicante #Bavaria33

What a nice sensatiion! Sailing close-hauled with mainsail and genoa, wind from the south-southeast

Wow! Back home with a full list of ideas to still develop and benchmark #DFT functionals! Thanks again to @group-ctm.bsky.social and @ctm-itodys.bsky.social for this brainstorming and all the accompaying discussions

Slides ready for my next talk! Hosted by @group-ctm.bsky.social @chimieparistechpsl.bsky.social

The title is inspired by a sentence coined by John P. Perdew during his talk at the past #DFT 2017 conference.

Don’t miss the next one! @dft2026eus.bsky.social

#theochem #compchem #quantumchem

Ready to continue with the lectures and hand-ons sessions on quantum and molecular modelling at the @ua.es

We will work with He clusters, fullerenes, nanotubes, isolated and stacked acenes, and Ir(ppy)3, etc.

#theochem #compchem #quantumchem

16th Edition of the European Symposium on Computing pi-Conjugated Compounds (CPiC), organized by Silvio Osella, CeNT, Univ. of Warsaw cpic16.cent.uw.edu.pl
#CompChemSky

Thanks again, Silvio, for the great organization!

Theor. Chem. Acc. (a @springer.springernature.com journal) sponsors the poster session of the 16th edition of the European Symposium on Computing Conjugated Compounds, greatly organized by Silvio Osella and taking place in Warsaw during these days. Thank you for hosting us!

#theochem #compchem

In #Warsaw (Poland) for the European Symposium on Computing Conjugated Compounds, what a nice and full of contrasts city!

#theochem #compchem

It was great to talk about #ResearchIntegrity at the
Virtual Winter School on Computational Chemistry
@vwscc.bsky.social #CompChemSky

Thanks again to VWSCC - in particular Sandra Gomez @quimicafisica1.bsky.social - for the kind invitation, and the audience for the thoughtful discussion!

This year is the 25th anniversary of the “Ramón y Cajal” tenure-track strategy, one of the greatest success of @ageinves.bsky.social, with more than 8000 beneficiaries along the years

As part of the 2005 generation, I just wanted to emphasize the need to continue supporting young researchers

The team of Editors of Theor. Chem. Acc. is very pleased to present the Editor’s Choice Collection, highlighting relevant and insightful articles.

More information can be found in the most recent editorial:

link.springer.com/article/10.1...

#theochem #compchem

Really a pleasure to introduce speakers (Quantum Chemistry group) for the scientific days of the Materials Science research network of @ua.es

* Éric Brémond (@ctm-itodys.bsky.social) will present last DFT advances

* @chemortuno.bsky.social will deal with Zr-based MOF

Welcome! #theochem #compchem

We have received a very useful feedback from the members of the editorial board of Theor. Chem. Acc. journal, working now on it! Thank you

link.springer.com/journal/214/...

#theochem #compchem #theochemsky #compchemsky

#Sailing and #sunset in #Alicante, a relaxing end of the weekend… before starting a week where I will have to correct a 400 pages PhD manuscript 😅

#Bavaria33

This has been an intense and fruitful year for Theor. Chem. Acc. (a @springernature.com journal since 1962)

I would like to warmly thank Editors, authors, reviewers, and readers for make this possible.

We will continue working to guarantee the highest quality standard in #theochem and #compchem

Our last (review) contribution (@pccp.rsc.org) is now online!

We tried to cover DFT from its inception to its latest (deep-learned) examples.

A collaboration between @ctm-itodys.bsky.social, @group-ctm.bsky.social, and the quantum chemistry group of the @ua.es👇🏼

pubs.rsc.org/en/content/a...

A winter day in #Alicante, the best blue sky of the world for #sailing

Theor. Chem. Acc. (@springer.springernature.com) has recently published the last two (highly selective) contributions to the Young Investigators Collection, by Ricardo Ortiz Cano (@uaveiro.bsky.social) and Hilke Bahmann (@uni-wuppertal.bsky.social) Congratulations!

#theochem #compchem #chemsky

Santa Claus brought me today this gift; he knows me very well and guessed that I had to prepare a Christmas stew today.

#ChemistsWhoCook

Happy Holidays! Take care of yourself, your family, and your friends. I wish all of you a great end of the year!