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Juan Carlos Sancho-García @quantumalicante.bsky.social · 3d

Wind and sunshine in #Alicante… what else?!

#MediterraneanSea #Bavaria33

Reposted by Juan Carlos Sancho-García

Juan Carlos Sancho-García @quantumalicante.bsky.social · 4d

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

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Juan Carlos Sancho-García @quantumalicante.bsky.social · 4d

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

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Reposted by Juan Carlos Sancho-García

Lucas Lang @llangresearch.bsky.social · 21d

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

Open PhD Fellowship in Quantum Chemistry at TU Berlin – Lang Research Group

www.langresearch.org

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Juan Carlos Sancho-García @quantumalicante.bsky.social · 22d

#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)

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Juan Carlos Sancho-García @quantumalicante.bsky.social · 25d

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

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Juan Carlos Sancho-García @quantumalicante.bsky.social · 27d

Sunset vibes in #Alicante

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Juan Carlos Sancho-García @quantumalicante.bsky.social · 28d

The story is more or less the following:

a new player enters the game…
👇🏼
DFT as we thought of it does not longer exist…
👇🏼
let’s say DFT is dead but use it to generate data, build kernels, train models, compare results, etc.

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Juan Carlos Sancho-García @quantumalicante.bsky.social · 28d

Exactly the same argument, just growing exponentially as the number of parameters 🤪

I will continue tomorrow preparing slides for my DFT MSc lectures 😅

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Juan Carlos Sancho-García @quantumalicante.bsky.social · Sep 4

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/...

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Juan Carlos Sancho-García @quantumalicante.bsky.social · Aug 28

Congrats! 👏🏼👏🏼

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Juan Carlos Sancho-García @quantumalicante.bsky.social · Aug 26

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

#EsitorLife #EditorsLife

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Juan Carlos Sancho-García @quantumalicante.bsky.social · Aug 23

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

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Juan Carlos Sancho-García @quantumalicante.bsky.social · Aug 21

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/...

Rethinking Peer Review Using the Swiss Cheese Model to Better Flag Problematic Manuscripts

Click on the article title to read more.

onlinelibrary.wiley.com

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Juan Carlos Sancho-García @quantumalicante.bsky.social · Aug 18

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/...

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Juan Carlos Sancho-García @quantumalicante.bsky.social · Aug 16

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...

Special Issue: Multi‐Resonant Thermally Activated Delayed Fluorescence and Inverted Singlet‐Triplet Energy Gap Materials: Advanced Optical Materials: Vol 13, No 23

Click on the title to browse this issue

advanced.onlinelibrary.wiley.com

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Juan Carlos Sancho-García @quantumalicante.bsky.social · Aug 15

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

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Juan Carlos Sancho-García @quantumalicante.bsky.social · Aug 15

Both @ua.es and @univgirona.bsky.social share the same (and much better) position (301-400) in Chemistry!

Ranking are what they are, but nobody at institutions look into the indicators at much detail to learn what needs to be improved and why.

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Juan Carlos Sancho-García @quantumalicante.bsky.social · Aug 15

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. 😊

Juan Carlos Sancho-García @quantumalicante.bsky.social · Aug 14

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.

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Juan Carlos Sancho-García @quantumalicante.bsky.social · Aug 5

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/...

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Juan Carlos Sancho-García @quantumalicante.bsky.social · Aug 4

Views from “El Portet” cove, north of #Alicante (Moraira)

The serenity of the sea is invaluable, indeed a window to Nature’s majesty

Juan Carlos Sancho-García @quantumalicante.bsky.social · Aug 2

#theochem #compchem #quantumchem #DFT #chemsky

Thanks to @springer.springernature.com from compiling the information and made it available to Editors

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Juan Carlos Sancho-García @quantumalicante.bsky.social · Aug 2

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! 😊

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Juan Carlos Sancho-García @quantumalicante.bsky.social · Jul 31

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”

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