Juan Carlos Sancho-García
@quantumalicante.bsky.social
**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
#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
November 23, 2025 at 8:11 PM
Reposted by Juan Carlos Sancho-García
ABINIT School 2026
Learning electronic structure calculations using ABINIT
Feb. 2 - 6 2026 - Bruyères-le-Châtel, France abischool.abinit.org
Learning electronic structure calculations using ABINIT
Feb. 2 - 6 2026 - Bruyères-le-Châtel, France abischool.abinit.org
ABINIT School
Learning electronic structure calculations using ABINIT
abischool.abinit.org
October 21, 2025 at 4:19 AM
ABINIT School 2026
Learning electronic structure calculations using ABINIT
Feb. 2 - 6 2026 - Bruyères-le-Châtel, France abischool.abinit.org
Learning electronic structure calculations using ABINIT
Feb. 2 - 6 2026 - Bruyères-le-Châtel, France abischool.abinit.org
Reposted by Juan Carlos Sancho-García
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.
Un enorme avance que impulsó un cambio de paradigma y una nueva era en la Ciencia.
October 19, 2025 at 7:25 AM
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.
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! 😊
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! 😊
October 16, 2025 at 1:06 PM
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! 😊
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! 😊
October 6, 2025 at 7:38 AM
Reposted by Juan Carlos Sancho-García
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
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
October 4, 2025 at 1:08 PM
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
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
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
October 4, 2025 at 1:08 PM
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
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
Reposted by Juan Carlos Sancho-García
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
🔗 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
September 18, 2025 at 11:45 AM
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
🔗 Details: www.langresearch.org/open-phd-fel...
Please share!
#PhDposition #CompChem
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
👉 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
September 13, 2025 at 5:29 PM
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
👉 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
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/...
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/...
September 4, 2025 at 3:26 PM
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/...
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
#EsitorLife #EditorsLife
August 26, 2025 at 10:01 AM
It seems these authors forgot to use ChatGPT to correct the acknowledgments 🤦🏼♂️🙄
#EsitorLife #EditorsLife
#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
Part of the longstanding collaboration between @ua.es, @chimieparistechpsl.bsky.social, and @itodys.bsky.social (@ctm-itodys.bsky.social)
#theochem #compchem
August 23, 2025 at 9:57 AM
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
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/...
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
August 21, 2025 at 4:07 PM
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/...
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/...
Thanks again to authors, reviewers, and guest editors 😊
link.springer.com/collections/...
August 18, 2025 at 7:38 AM
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/...
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...
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
August 16, 2025 at 11:07 AM
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...
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
- corrosion inhibitors (i.e.; molecules adsorbed on Fe surfaces)
- excited state proton transfer
- double-halide perovskites
- anchored molecules for DSSC
🤷♂️ Any reason? 🤷♂️
#EditorLife #EditorsLife
August 15, 2025 at 5:14 PM
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
- 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. 😊
*Indicators: international awardees, highly cited researchers, and Editors of JCR journals.
Really glad to contribute, thanks to my role in Theor. Chem. Acc. 😊
August 15, 2025 at 11:44 AM
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. 😊
*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.
* the line at which the earth's surface and the sky appear to meet.
* the limit of a person's knowledge, experience, or interest.
August 14, 2025 at 9:53 PM
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.
* 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/...
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/...
August 5, 2025 at 10:49 AM
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/...
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/...
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! 😊
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! 😊
August 2, 2025 at 10:42 AM
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! 😊
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! 😊
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
lnkd.in/d8yZeU43
July 25, 2025 at 1:27 PM
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
lnkd.in/d8yZeU43