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!

We are enchanted! We are immaculate! We are selected! 👏🏼👏🏼 40th anniversary Immaculate Fools

Very productive meeting today of the team of Editors of Theor. Chem. Acc. (@springer.springernature.com) Stay tuned for more news. The journal was founded in 1962 (the oldest for #theochem and #compchem) and is continuosly adpating to the evolution of our field. Submissions are welcome!

A wonderful (and not too cold) weekend in #Stockholm 🇸🇪🇸🇪

To commemorate the 25th anniversary of the @emtccm.bsky.social program, we are organizing a Special Issue in Theor. Chem. Acc. This program has trained generations of scientists. Let’s celebrate it! ** Guest Editors: @laiavilanadal.bsky.social (@glasgow.ac.uk) and Ana Martin-Somer (@uam.es)

To commemorate the 25th anniversary of the @emtccm.bsky.social program, we are organizing a Special Issue in Theor. Chem. Acc. This program has trained generations of scientists. Let’s celebrate it! ** Guest Editors: @laiavilanadal.bsky.social (@glasgow.ac.uk) and Ana Martin-Somer (@uam.es)

My most-used words… not a surprise but nice to see #theochem and #compchem on top! Never too late to encourage scientists to submit their work to Theor. Chem. Acc. journal: link.springer.com/journal/214

Siempre es un placer participar en iniciativas para un consumo y vida más sostenible, gracias al programa de microcredenciales universitarias del @cfpua.bsky.social En mi caso hablando de la energía que consume el mundo digital (💻📱🔌🖥️⌨️⌚️etc.) #sostenibilidad #microcredenciales

Here we are, the moment we’ve all been waiting for. 📢 Registration & Abstract Submission Now Open! Register before 15 March 2026 to secure the early bird fee! 📅 Abstract submission is open until 31 May 2026. Find all details here: dft2026.com #DFT2026

May the sea be with you… Find your momentum 💪🏼 #Alicante #Bavaria33

A quantum chemists can also teach steam distillation 😜 The Physical Chemistry Dept. of the @ua.es makes really an effort to provide high-quality education to first-year chemistry students 💪🏼

Up to 4 reviewer’s reports received for this one! (a review upon invitation) We tríed to link past and present of #DFT through a historical journey. The reports will certainly be very useful to improve such a manuscript 💪🏼 #theochem #compchem #chemsky

Sunset, #Alicante Sailing, #Bavaria33 #MediterraneanSea All what one needs, real mindfullness…

ABINIT School 2026 Learning electronic structure calculations using ABINIT Feb. 2 - 6 2026 - Bruyères-le-Châtel, France abischool.abinit.org

El 19/10/1900, Max Planck presentó en Berlín, ante la Sociedad Alemana de Física una nueva ley que explicaba mejor y con mayor precisión que ninguna otra antes, el problema de la radiación del cuerpo negro. Un enorme avance que impulsó un cambio de paradigma y una nueva era en la Ciencia.

Time flies! 25 years working at the @ua.es in quantum chemistry! Nice period indeed, with more than 3000 hours of teaching and more than 180 research articles published, let’s go for a few more years! 😊

Wind and sunshine in #Alicante… what else?! #MediterraneanSea #Bavaria33

New Special Collections!!! 👇🏼 The team of permanent and guest editors of Theor. Chem. Acc. (@springernature.com) is glad to present the ongoing collections for the fall-winter period!!! link.springer.com/journal/214 #theochem #compchem #chemsky

New Special Collections!!! 👇🏼 The team of permanent and guest editors of Theor. Chem. Acc. (@springernature.com) is glad to present the ongoing collections for the fall-winter period!!! link.springer.com/journal/214 #theochem #compchem #chemsky

I have an open PhD position. The exact topic is negotiable and can range from implementing new quantum-chemical methods in @orca-qc-official.bsky.social to computational studies of open-shell molecules. 🔗 Details: www.langresearch.org/open-phd-fel... Please share! #PhDposition #CompChem

#Sailing with good friends is wonderful! We enjoyed yesterday a new Bavaria 33 sailboat in the beatiful bay of #Alicante (wind did not accompany us so much, a pity)

Glad to start the academic year again at the Faculty of Science (@ua.es): 👉 Lectures on ‘Quantum modelling’, ‘Quantum chemistry and spectroscopy’ and ‘Computational chemistry’, the latter together with @chemortuno.bsky.social and with a great list of enrolled students! @theochem @compchem @chemsky

Sunset vibes in #Alicante

Special issue in memory of Bogumił Jeziorski is now open to submissions! All manuscripts will undergo the usual peer-review process to ensure the high quality of accepted papers. A thousand thanks to the team of guest editors 💪🏼🎓 #theochem #compchem #chemsky link.springer.com/collections/...

It seems these authors forgot to use ChatGPT to correct the acknowledgments 🤦🏼‍♂️🙄 #EsitorLife #EditorsLife

Good news! Singlet-triplet gap in covalently and weakly bound carbenes, a challenging energy difference by DFT, was positively reviewed. Part of the longstanding collaboration between @ua.es, @chimieparistechpsl.bsky.social, and @itodys.bsky.social (@ctm-itodys.bsky.social) #theochem #compchem

Very interesting analysis by @jabyrnesci.bsky.social et al. Thanks a lot! That is the model I have tried to follow from the very beginning, as Editor-in-Chief of Theor. Chem. Acc. (a journal established in 1962) #theochem #compchem #EditorLife #EditorsLife onlinelibrary.wiley.com/doi/10.1002/...

Few days left for submissions to this Special Collection! (30th Canadian Symposium on #theochem and #compchem) Thanks again to authors, reviewers, and guest editors 😊 link.springer.com/collections/...

This Special Issue is out! Thank you very much to editors, and particularly to @chemguyeli.bsky.social and my coauthors Yoann Olivier (U. Namur, Belgium) and Ángel J. Pérez-Jiménez (@ua.es) for these years working together in #theochem and #compchem advanced.onlinelibrary.wiley.com/toc/21951071...

I have identified along last months few topics for #papermills activity in #theochem and #compchem: - corrosion inhibitors (i.e.; molecules adsorbed on Fe surfaces) - excited state proton transfer - double-halide perovskites - anchored molecules for DSSC 🤷‍♂️ Any reason? 🤷‍♂️ #EditorLife #EditorsLife

New edition of Shanghai ranking, listing the @ua.es as the top university in Chemistry of Spain for the “World-class Faculty” category! *Indicators: international awardees, highly cited researchers, and Editors of JCR journals. Really glad to contribute, thanks to my role in Theor. Chem. Acc. 😊

Definition of horizon: * the line at which the earth's surface and the sky appear to meet. * the limit of a person's knowledge, experience, or interest.

A must read for everyone concerned (scientists, publishers, decision makers, editors, etc): reeserichardson.blog/2025/08/04/a... Fraud in scientific publications must stop! #EditorLife #EditorsLife Link to the original publication: www.pnas.org/doi/10.1073/...