Hello Folks! IQAR-UAH Universidad Alcalá RSEQ Jóvenes Investigadores Químicos (JIQ-RSEQ) European Society for Photobiology European Photochemistry Association RSC Photophysics & Photochemistry Group Photochemistry Team Klaus ACS Photonics The VII Photochemistry Iberian Conference is running short! congresosalcala.fgua.es/jif2022/

What if we could reconsider common photoswitches as solar fuels? Here's our suggestions published in "Advanced Sustainable Systems": onlinelibrary.wiley.com/doi/full/10.10… IQAR-UAH Universidad Alcalá CompChemNews The Solar Chemicals Network Wiley Chemistry

Our DISCoVER project Universidad Alcalá IQAR-UAH on SARS-CoV-2 continues! Here's our latest results: Specific Recognition of the 5′-Untranslated Region of West Nile Virus Genome by Human Innate Immune System mdpi.com/1674896 #mdpiviruses Viruses MDPI

NOW PUBLISHED! tinyurl.com/4edkxfyv Provides a comprehensive overview of photoactive systems and photochemical processes focusing on key computational methods. Edited by Cristina García Iriepa and Marco Marazzi RESMOL @MarcoMarazzi1 #CHEMISTRY #elsevier #photochemistry

Production of dihydrogen using ammonia borane as reagent and pyrazole as catalyst (ChemPhysChem): …mistry-europe.onlinelibrary.wiley.com/doi/abs/10.100… (RESMOL, Maxime FERRER, Ibon Alkorta, IQM_CSIC).

Electro- and photochemical H2 generation by Co(II) polypyridyl-based catalysts bearing ortho-substituted pyridines - now published in Sustainable Energy & Fuels pubs.rsc.org/en/content/art…

Taking up the quest for novel molecular solar thermal systems: Pros and cons of storing energy with cubane and cubadiene frontiersin.org/articles/10.33…

#OnTheCover Production of Dihydrogen Using Ammonia Borane as Reagent and Pyrazole as Catalyst (Ibon Alkorta and co-workers) onlinelibrary.wiley.com/doi/10.1002/cp… RESMOL Maxime FERRER Ibon Alkorta IQM_CSIC onlinelibrary.wiley.com/doi/10.1002/cp…

Norbornadiene/Quadricyclane System in the Spotlight: The Role of Rydberg States and Dynamic Electronic Correlation in a Solar‐Thermal Building Block - Coppola - 2023 - ChemPhotoChem - Wiley Online Library …mistry-europe.onlinelibrary.wiley.com/doi/abs/10.100…

We are looking for a motivated PhD student in the field of computational chemistry. Application deadline: May 31, 2024 Funding: University program promoting research excellence (FPU-EXCELENCIA). Duration: 3 years, with extension to a fourth year. Contact: [email protected]

Read this #preprint on Research Square: A Predictive Screening Tool to Evaluate the Efficiency of Z/E Photoisomerizable Molecular Switches researchsquare.com/article/rs-431…

Interested in how to modulate Efficiency and Color of Thermally Activated Delayed Fluorescence? Read our latest JCTC to find it out! pubs.acs.org/doi/10.1021/ac…

📜 Our last paper on JCIM & JCTC Journals. We present a new perturbation-like approach to predict molecular properties of large libraries of chemical compounds from data of a small subset. 🔗 Read more: pubs.acs.org/doi/10.1021/ac… 🎧 Listen podcast: open.spotify.com/episode/27HLPa…

🎉 Our latest work "A Phenomenological Perturbation-like Approach for Prediction of Molecular Properties..." is out now in @JCTC_ACS — and we're honored to see it featured on the Front Cover! 🔗 pubs.acs.org/toc/jctcce/21/7 #MyACSCover ACS Publications

🔧 First theoretical and computational model to quantify mechanical work in ball-milling reactions! By RESMOL group (UAH) — now in JCTC ACS Publications. 📄 doi.org/10.1021/acs.jc… 💻 github.com/LMFrutos/Bell_… #mechanochemistry #ballmilling #compchem #GreenChemistry

Honored to contribute to the J. Phys. Chem. B Festschrift celebrating Prof. Massimo Olivucci 🙌 👉 Our paper on the mechanical control of retinal excitation energy: doi.org/10.1021/acs.jp… A tribute to a dear scientific mentor, an inspiring scientist and a wonderful person.

How can AI transform science—and how can science shape the future of AI? 🌍🤖 Proud to have contributed to the community paper from the NSF AI+MPS workshop. Grateful to the organizers for this inspiring initiative! 📄 arxiv.org/pdf/2509.02661

🎉 Excited to share our second Front Cover of 2025 in Journal of Chemical Theory and Computation! 👉 Check it out here: pubs.acs.org/toc/jctcce/21/… 👉 Article: pubs.acs.org/doi/10.1021/ac… #MyACSCover ACS Publications RESMOL Universidad Alcalá IQAR-UAH