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/...

Views from “El Portet” cove, north of #Alicante (Moraira) The serenity of the sea is invaluable, indeed a window to Nature’s majesty

On behalf of all Editors, I have congratulated authors of the most (in 2024) downloaded/cited articles in Theor. Chem. Acc. The topics are DFT, QM/MM, basis sets, solvation effects, software developments, reactivity and molecular properties, etc. PS: one from 1973 by Pople still is on that list! 😊

Atardecer en #Alicante, aderezado con la letra de #Biznaga (se necesita más punk para estos tiempos que corren): “Si el desencanto afecta con razón El entusiasmo es la resistencia La última expresión De radical belleza Una exaltación El viento que nos lleva”

As Editor-in-Chief of Theor. Chem. Acc., it is really a pleasure to showcase the last #theochem and #compchem contributions (open access) to the highly selective Young Investigators Topical Collection, by Andrea Bonvicini and Tárcius N. Ramos (Université de Namur, Belgium) lnkd.in/d8yZeU43

A PhD viva is always a very beatiful moment, proud to be part of the Committee! Congratulations to the candidate and her advisors from @icmoluv.bsky.social Check out this very interesting outcome to efficiently calculate electronic couplings: pubs.aip.org/aip/jcp/arti... #theochem #compchem

👉Predatory Conference Check List 👈 ...based on my experience in detecting difficult cases, I did my own list for our group, as I was missing some points in those available... anyway, I'm happy to get suggestions etc. #researchintegrity #PredatoryConference download: www.uv.es/jogiers/pdf/...

The endless horizon, the vatness and beauty of the #Mediterranean sea and sky only compares to the very best of our world: #Science and #knowledge is deeper than the sea and wider than the sky. There is always so much to learn…

Our cover for the @jmaterchem.rsc.org is now ready! #theochem #compchem #quantumchem Check out the content here: pubs.rsc.org/en/content/a...

The 21st International Conference on Density Functional Theory and its Applications will take place in Donostia (Spain) from Aug 23–27, 2026. Save the dates! 🔬✨ dft2026.com #DFT2026 Check out the lineup of speakers:

I am a passenger And I ride, and I ride I ride through the city's backsides I see the photons come out of the sky Yeah, they're bright in a hollow sky You know it looks so good today (my reinterpretation, great Iggy!)

The CCL (Computational Chemistry List) will close very soon. I still remember my first post there (as a PhD student, 1998 😱) asking about #DFT and non-dynamic correlation. A big thank to Jan for all this work: having such a resource was important in those dates. #theochem #compchem #quantumchem

I am simultaneously writing up to 3 drafts! * Obtaining scaling factor for ZPVE and (an)harmonics, using our double-hybrid functionals * Calculating ST gaps of carbenes (also weakly bound) by DFT * Revisiting (for @pccp.rsc.org, by invitation) the historical evolution of #DFT #theochem #compchem

#Mediterranean sea at almost 29C, very unusual and rare, storms will be very strong by the end of this summer in #Alicante 🤦🏼‍♂️🤷‍♂️

Theor. Chem. Acc. has received almost 500 submissions during the first half of 2025! A big thank you to authors and reviewers. The recently closed and ongoing special collections are an example of modern trends, contributing to the scope of the journal. #theochem #compchem #quantumchem

What a sea and sky today in #Alicante! However, water temperature (Mediterranean sea) is higher than ever (28C) which is another sign of climate change ☹️ #quicksilver #sailing

Theor. Chem. Acc. has received almost 500 submissions during the first half of 2025! A big thank you to authors and reviewers. The recently closed and ongoing special collections are an example of modern trends, contributing to the scope of the journal. #theochem #compchem #quantumchem

#Alicante city festival and the typical fireworks at midnight!

Theor. Chem. Acc. will dedicate a special issue to the memory of Bogumił Jeziorski, with great colleagues acting as guest editors! Thank you for this nice initiative and for considering this journal as the appropriate forum. #theochem #compchem #quantumchem link.springer.com/journal/214

Typical appetizer for this season in #Alicante during the city festival: flatbread with olive oil and flour crambles, topped with salted cod mixed with dried red pepper. Is there anything better? In Spanish: coca de mollitas con pericana 😋

Contrarily to The Clash lyrics… I live by the seaside! A bit cloudy and with waves today #Alicante #sailing #summertime

Congratulations to Pablo Maíz-Pastor for his successful M.Sc. dissertation! 🎓💻💡 A big thanks to evaluators Dr. Montiel (Dept. Physical Chemistry), Dr. Gosalbez (Dept. Physics) and Dr. Lozano-Castelló (Dept. Inorganic Chemistry) Results published in @jmaterchem.rsc.org #theochem #compchem

Dr. Iniesta-Valcárcel, compañero del Depto. Química Física de la @ua.es, siempre amable y siempre dispuesto a ayudar, preocupado hasta el último momento de las tareas académicas y de la gente que dejaba atrás. DEP.

Pablo Maíz-Pastor, et al. Double-hybrid density functionals applied to a large set of INVEST systems: validating the (SOS1-)PBE-DH-INVEST expressions. Journal of Materials Chemistry C. 2025. doi.org/10.1039/D5TC... @quantumalicante.bsky.social

Please share: We are looking for a PhD student in theoretical chemistry starting asap for project on metal-free magnetism in graphene-related materials and organic 2D crystals! Deadline 18.6. www.verw.tu-dresden.de/StellAus/ste... #phdjobs #chemsky #chemjobs #phdlife #PhDposition 🧪 #compchem ⚛️

Our last publication is now online (@jmaterchem.rsc.org) for the field of #OLEDs and organic compounds exhibiting Hund’s rule violation (S1 < T1) Thanks to @marchgarner.bsky.social to originally compile the NAH159 dataset of compounds, really helpful! #theochem #compchem

Really honored to receive this week the @springernature.com “Editorial Contribution" and the "Author Service" awards, as Editor-in-Chief of Theor. Chem. Acc., recognizing the timely assessment of submissions and ensuring the peer review process is efficient. Thanks! #theochem #compchem #chemsky

Today #DIPCseminars 👇 📌 On the role of spin momentum in light-emitting and photochemical applications: A computational perspective 👨‍🔬 Yoann Olivier, University of Namur 🗓️ May 27, 16:30 🏫 DIPC Josebe Olarra Seminar Room

This creation (from #chef Pablo Montoro, in #Alicante) is called “the sweet sea”, evoking admiration. Modern cuisine can be as accurate as Science, in the hope of producing the best finished dish.

This special collection (Theor. Chem. Acc.) is still open for submissions! Thanks to guest editors Lluis Blancafort (from @iqccudg.bsky.social) and Javier Segarra (@icmoluv.bsky.social) for their great job. #theochem #compchem #quatumchem link.springer.com/collections/...

#Mediterranean life, seafood and shiny skies. Remember to take always care of yourself and your family, learning how to disconnect from work. #Calculations and #experiments can wait until Monday…