Our thoeretical model for substituent effect has been published in J.Phys.Chem AIP Publishing aip.scitation.org/doi/10.1063/5.…. Featured article aip.scitation.org/topic/collecti… and AIP Scilight aip.scitation.org/doi/10.1063/10…

Model quantifies the energy variations produced by chemical substitution. ow.ly/A3Gb50F7lnF #scilight

📜 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…

🎖️🎖️Se convoca la "Medalla Nicolás Monardes"🎖️🎖️ La finalidad es reconocer a un/a investigador/a que haya demostrado una la carrera distinguida relacionada con la Fotoquímica Española e Internacional. bases en grufo.rseq.org/medalla-nicola…

🎉 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

Great news! Our project ComplexPhotoMec, led by the RESMOL group, has been proposed for funding by Agencia Estatal de Investigación. The project will focus on pushing the boundaries of mechanical control in photoactive materials. #Mechanochemistry #Photochemistry #Mechanophotochemistry #AEI

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