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Juan Carlos Sancho-García

@quantumalicante.bsky.social
561 followers 928 following 251 posts

**Quantum & Computational Chemistry #compchem #theochem #DFT 💻🌍💭 **Scientist and Senior Lecturer at University of #Alicante, Spain. 🇪🇸☀️🥘🍤🍊⛵️⛱️ **Editor-in-Chief of Theor. Chem. Acc. (founded in 1962, the oldest journal in our field) Views are my own

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Juan Carlos Sancho-García @quantumalicante.bsky.social · 10h
Published now in JCTC! A new family of nonempirical functionals: RSX-r2SCAN, RSX-r2SCAN0, and RSX-r2SCAN-QIDH -> Calculations with @orca-qc-official.bsky.social -> Work presented at @dft2026eus.bsky.social -> Collaboration: @ua.es, @ctm-itodys.bsky.social, and @chimieparistechpsl.bsky.social
pubs.acs.org
A New Family of Nonempirical Range-Separated Functionals: RSX-r2SCAN, RSX-r2SCAN0, and RSX-r2SCAN-QIDH
Abstract. We extend the restored-regularized Strongly Constrained and Appropriately Normed (r2SCAN) nonempirical exchange-correlation functional to the Ran
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Juan Carlos Sancho-García @quantumalicante.bsky.social · 13/10/2026
Glad to contribute to the Special Collection honouring the memory of Axel Becke (@aip-publishing.bsky.social) with a new hierarchy of non-empirical #DFT functionals. Collaboration between @ua.es, @ctm-itodys.bsky.social, and @chimieparistechpsl.bsky.social #theochem #compchem #quantumchem
pubs.aip.org
Building new non-empirical hybrid and double-hybrid density functionals from the TCA family of GGA expressions
The Tognetti–Cortona–Adamo (TCA) correlation functional, and their subsequent variants, constitutes an important family of nonempirical generalized gradient app
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Juan Carlos Sancho-García @quantumalicante.bsky.social · 07/10/2026
Please report that to the Editor-in-Chief of both journals. The anti-plagiarism tools can’t detect that duplication if both are submitted at the same time 😫
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Juan Carlos Sancho-García @quantumalicante.bsky.social · 26/09/2026
Totally agree with you!! #EditorLife
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Juan Carlos Sancho-García @quantumalicante.bsky.social · 24/09/2026
Theor. Chem. Acc. was pleased to sponsor the poster sessions at DFT’26 It is a pleasure to congratulate the winners of the poster prizes! - Lucien Dupuy (@unistra.fr) - Bin Wang (@vubrussel.bsky.social) - Sage Gorney (@uofcalifornia.bsky.social) - Soumyakanti Das (@uni-jena.de) #chemsky #theochem
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Juan Carlos Sancho-García @quantumalicante.bsky.social · 20/09/2026
New semester at @ua.es New students, new challenges, and new opportunities to grow. Wishing all students of BSc Chemistry a successful journey ahead! #ChemEd #ChemistryEducation
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Juan Carlos Sancho-García @quantumalicante.bsky.social · 13/09/2026
'Cause it's a bittersweet symphony, that's life Tryna make ends meet, you're a slave to money then you die I'll take you down the only road I've ever been down You know the one that takes you to the places where all the veins meet, yeah (The Verve, 1997) #Quicksilver #Quicksilver605 #Alicante
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Juan Carlos Sancho-García @quantumalicante.bsky.social · 09/09/2026
The Quantum Chemistry group of @ua.es welcomes a new server! #Gigabyte server R263-Z34-AAH1 #AMD Turín 9755 (128 cores) #Kingston memory (756GB) Funded by @ageinves.bsky.social @chemortuno.bsky.social Let’s enjoy it! #theochem #compchem #quantumchem
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Juan Carlos Sancho-García @quantumalicante.bsky.social · 07/09/2026
I need this at least once a week ☀️🚤 #QuickSilver #QuickSilver605 #Alicante #motorboat
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Juan Carlos Sancho-García @quantumalicante.bsky.social · 01/09/2026
Back to my beloved Mediterranean Sea after some days of work in the beautiful city of Donosti (Bay of Biscay) - Wind: E 8-11kn - SOG: up to 4kn easing the boom out #sailing #Alicante #Bavaria33
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Juan Carlos Sancho-García @quantumalicante.bsky.social · 30/08/2026
Glad to be part of the Scientific Committee of the #DFT conferences, which met last week at @dipcehu.bsky.social The next edition will be organized in @uni-wuppertal.bsky.social, hosted by Prof. Hilke Bahmann, who will serve as Chairperson. Excellent news!! #rheochem #compchem #quantumchem
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Reposted by Juan Carlos Sancho-García
The CTM Group @ctm-itodys.bsky.social · 27/08/2026
Today at @dft2026eus.bsky.social « Are Nonempirical Double Hybrid Approximations Really Worse? » The answer is NO! A huge thank you to the organizers for such an excellent conference in Donostia! @itodys.bsky.social @upcite.bsky.social @quantumalicante.bsky.social @group-ctm.bsky.social
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Juan Carlos Sancho-García @quantumalicante.bsky.social · 27/08/2026
A really nice talk!
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Juan Carlos Sancho-García @quantumalicante.bsky.social · 26/08/2026
Editors and Editorial Board members of Theor. Chem. Acc. participating at DFT’26!! From left to right: * Johannes Neugebauer * Henry Chermette * Vanessa Vethacke (from @springer.springernature.com) * Juan C. Sancho-Garcia * Martín Kaupp * Jan M.L. Martín @miquelsola.bsky.social * Benoît Champagne
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Juan Carlos Sancho-García @quantumalicante.bsky.social · 23/08/2026
Ready for the #DFT conference, excellently organized by the local committee! Few days ahead of developments and applications! Sponsors: @msftresearch.bsky.social @springer.springernature.com @rseq-quimica.bsky.social @dipcehu.bsky.social #theochem #compchem #quantumchem @dft2026eus.bsky.social
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Juan Carlos Sancho-García @quantumalicante.bsky.social · 21/08/2026
#Alicante by night, with its magnificent fortress dating back from 886 (just 1140 years ago!! 😅)
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Juan Carlos Sancho-García @quantumalicante.bsky.social · 21/08/2026
Computational Chemistry, quo vadis? Very interesting work by @pavlodral.bsky.social #theochem #compchem #theochem
arxiv.org
Science Done on a Machine by a Machine: AI Agents in Computational Chemistry
We are witnessing an explosion of agentic systems for computational chemistry simulations: from half a dozen in 2024 to a dozen in 2025, and the current number approaches fifty, surveyed in this Persp...
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Reposted by Juan Carlos Sancho-García
FACCTs @faccts.de · 19/08/2026
We’re sponsoring and exhibiting at #DFT2026 in Donostia/San Sebastián! Come by to learn more about #ORCA and #OPI, and don’t miss Benjamin Helmich-Paris’ talk next Thursday at 12:20 on excited-state methods based on state-averaged CASSCF-DFT. #DFT2026 #CompChem #QuantumChem #Python #ChemSky
FACCTs at the DFT 2026
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Juan Carlos Sancho-García @quantumalicante.bsky.social · 18/08/2026
Ready for the 21st #DFT International Conference Our work will once again be represented with up to four abstracts!! -> Don’t miss Eric Bremond’s (@upcite.bsky.social) talk on Thu 27!! -> Excellent work by Pablo Maíz-Pastor as part of his PhD studies at @ua.es @dft2026eus.bsky.social
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Juan Carlos Sancho-García @quantumalicante.bsky.social · 16/08/2026
This is all what one needs ☀️ We got 6-7 knots of SOG with a wind speed of 16-18 knots… not bad 😃 #sailing #Bavaria33 #Alicante
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Juan Carlos Sancho-García @quantumalicante.bsky.social · 13/08/2026
When the best decision is no decision: the rise of randomization in grant funding www.nature.com/articles/d41...
nature.com
When the best decision is no decision: the rise of randomization in grant funding
If reviewers can’t reliably tell the difference between top grant proposals, why should they pretend they can? A new wave of funders is turning to lotteries to break the tie.
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Juan Carlos Sancho-García @quantumalicante.bsky.social · 12/08/2026
Last minutes of the eclipse: total darkness and then a sunset again!
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Juan Carlos Sancho-García @quantumalicante.bsky.social · 04/08/2026
The Marmoris Effect is that special sparkle on the seawater when sunlight reflects off the waves. #Alicante; what else should I say? 😜☀️ #sailing #Bavaria33 #CostaBlanca
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Juan Carlos Sancho-García @quantumalicante.bsky.social · 31/07/2026
Enjoy the summer holidays! Hope your summer will be slow, easy, and full of good sunshine. Try to get plenty of time to rest and do nothing much ☀️🏖️🥘🚤 Science and Academy are important, as so are personal care and mental health
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Reposted by Juan Carlos Sancho-García
Johannes Gierschner @gierschner.bsky.social · 29/07/2026
"AI detectors may never beat fraud. Changing how science rewards its researchers might be the only fix that does" ...yes, indeed! #ResearchIntegrity #CompChemSky #ChemSky #PiSky
cen.acs.org
Can we stop AI from flooding scientific journals?
AI detectors may never beat fraud. Changing how science rewards its researchers might be the only fix that does
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Juan Carlos Sancho-García @quantumalicante.bsky.social · 29/07/2026
Glad to chair a session in the next DFT’26 conference! Thanks to the Local Organizing Committee for the invitation! @dft2026eus.bsky.social #theochem #compchem #quantumchem #DFT
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Reposted by Juan Carlos Sancho-García
Kimika Teorikoa Lab @theochemehu.bsky.social · 28/07/2026
Check out the latest effort by Gaetano Ricci from our lab link.springer.com/article/10.1... @dipcehu.bsky.social
link.springer.com
Tuning the spin-component scaling scheme for inverted singlet–triplet (INVEST) systems: improving CC2 and ADC(2) from excited-state energies to topological features - Theoretical Chemistry Accounts
Inverted singlet–triplet (INVEST) materials, characterized by a negative singlet–triplet energy gap (ΔEST), hold great promise for next-generation Organic Light Emitting Diode (OLED) applications. How...
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Juan Carlos Sancho-García @quantumalicante.bsky.social · 26/07/2026
Sad news. I met him in 1999 at the Heyrovsky Institute of Physical Chemistry, part of the @czechacademy.bsky.social He accepted me as a trainee, but I finally worked in another research group. He was always smiling and had a kind word everyday we crossed at the 1st floor kitchen.
uochb.cz
Pavel Jungwirth, a leading figure in the world of chemistry, has died
The Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences is deeply saddened to announce that on Thursday 23 July 2026, our outstanding colleague, teacher, mentor and…
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Juan Carlos Sancho-García @quantumalicante.bsky.social · 26/07/2026
Sad news. He was very kind, always smiling when we crossed everyday at the kitchen of the 1st floor of Heyrovsky Institute.
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Juan Carlos Sancho-García @quantumalicante.bsky.social · 25/07/2026
Check out new publications from Gaetano Ricci (@dipcehu.bsky.social) and Florian Lemken (@czechacademy.bsky.social) as part of the Young Investigator Topical Collection!! link.springer.com/collections/... #theochem #compchem #quantumchem @springer.springernature.com
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Reposted by Juan Carlos Sancho-García
Johannes Gierschner @gierschner.bsky.social · 24/07/2026
Spanish Ray of Hope for #ResearchIntegrity: The Science Ministry's new guidelines for publicly funded projects will specifically evaluate whether researchers & institutions obey all standards for research ethics & integrity, as set by the ALLEA European Code of Conduct www.boe.es/boe/dias/202...
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Juan Carlos Sancho-García @quantumalicante.bsky.social · 20/07/2026
Fair, honest, happy, and motivated people, all what a country needs 💪🏼👏🏼🇪🇸🇪🇸🇪🇸 The same principles should always guide Science as well!!
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Juan Carlos Sancho-García @quantumalicante.bsky.social · 16/07/2026
The 49th International Congress of Theoretical Chemists of Latin Expression (QUITEL) has come to a close. Congratulations! Theor. Chem. Acc. contributes to this success with a dedicated Special Collection: link.springer.com/collections/... #theochem #compchem #quantumchem #chemsky
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Juan Carlos Sancho-García @quantumalicante.bsky.social · 14/07/2026
Actually, only 3 national anthems in the world miss lyrics… but we won anyway 😂
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Juan Carlos Sancho-García @quantumalicante.bsky.social · 14/07/2026
Our anthem has no official lyrics 🤷‍♂️
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Juan Carlos Sancho-García @quantumalicante.bsky.social · 06/07/2026
Newly accepted article! 👏🏼💫 - Systems: a set of 117 azaphenalenes - Property: S1-T1 energy difference - Method: PBE-DH-INVEST double-hybrid functional - Key physical effect: balanced and system-dependent inclusion of double excitations for both excited states #theochem #compchem #quantumchem #OLEDs
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Juan Carlos Sancho-García @quantumalicante.bsky.social · 05/07/2026
“El bote blanco”, Joaquín Sorolla, 1905 (105 x 150cm) “Jávea, sublime, immense, the best place I know for painting […] This is the place I always dreamed of, Sea and Mountain, but what a sea!” I could not agree more 😀 ☀️ 🌊
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Juan Carlos Sancho-García @quantumalicante.bsky.social · 04/07/2026
Whether on land or at sea, it is best to yield the right of way to the larger vessel or vehicle, don’t you think so? 😅😂 #sailing #Alicante #CostaBlanca
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Juan Carlos Sancho-García @quantumalicante.bsky.social · 02/07/2026
😂😂
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Reposted by Juan Carlos Sancho-García
Johannes Gierschner @gierschner.bsky.social · 02/07/2026
Citation Cartels & Brokers at work: "Paper mill cancer studies get double the number of citations as genuine papers" 👇 ... & generating thousands of absurd "Rising Star" profiles in the "Stanford" list of "Top 2% scientists" #ResearchIntegrity
nature.com
Paper mill cancer studies get double the number of citations as genuine papers
Potentially fraudulent papers often cite each other and could be inflating the impact factor of journals in which they are published.
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Juan Carlos Sancho-García @quantumalicante.bsky.social · 30/06/2026
Glad to see last metrics for Theor. Chem. Acc. 😀👏🏼💪🏼 JIF has increased ⬆️ First decision time is low ⬇️ We will continue pushing good Science here! ⏭️⏭️ #theochem #compchem #quantumchem #EditorLife #EditorsLife @springer.springernature.com
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Juan Carlos Sancho-García @quantumalicante.bsky.social · 26/06/2026
#Fireworks from the sea to celebrate the Summer solstice in #Alicante💥 This is part of the vibrant array of #Mediterranean traditions
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Juan Carlos Sancho-García @quantumalicante.bsky.social · 19/06/2026
Yeah! In the weights too 😀 I’m fine with the definition given, not so bad 👇🏼
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Juan Carlos Sancho-García @quantumalicante.bsky.social · 12/06/2026
😂😂
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Juan Carlos Sancho-García @quantumalicante.bsky.social · 08/06/2026
I have a sparrow's nest in the middle of a jasmine bush, nice! 😀
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Juan Carlos Sancho-García @quantumalicante.bsky.social · 05/06/2026
Our research group is buying a new HPC system When exactly did RAM memory suddenly become so expensive, and why?! 😫😫😫 Difficult times for publicly funded research… 💶💰😬
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Juan Carlos Sancho-García @quantumalicante.bsky.social · 04/06/2026
I'm so glad to be a theoretician and only have to deal with reagents and solvents computationally 😜😅 #theochem #compchem #quantumchem
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Juan Carlos Sancho-García @quantumalicante.bsky.social · 27/05/2026
A new graduate from the Quantum Chemistry group of @ua.es Congratulations to Amel Derradji for her PhD viva! 🎓 A big thank to the jury members @chemortuno.bsky.social, Manuel Melle (@uaveiro.bsky.social) and Ma Carmen Ruiz (@univmalaga.bsky.social) #theochem #compchem #quantumchem
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Juan Carlos Sancho-García @quantumalicante.bsky.social · 24/05/2026
#Bernouilli and #Venturi effects in action 😀💪🏼 #sailing #Alicante #Bavaria33
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Reposted by Juan Carlos Sancho-García
dft2026 @dft2026eus.bsky.social · 19/05/2026
🚨Abstract Submission Deadline 🚨 Don't forget to submit your abstracts by the 31st of this month! 🗓️ We have 32 slots available for oral presentations. Don't miss the chance to showcase your research! Submit here: dft2026.com/abstract-sub...
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