Luis Manuel Frutos

Prof. Physical Chemistry, University of Alcala (UAH)
Head of RESMOL group @RESMOL_UAH

[Luis Manuel Frutos @LM_Frutos]

📢 PhD position in Computational Chemistry.
The RESMOL Group at the University of Alcalá is offering a 4-year Predoctoral Contract starting in September 2026! 🔬 Project: Computational models for mechano-photochemistry.
More info: https://t.co/t9c0i1JQr3

[Luis Manuel Frutos @LM_Frutos]

🎉 Excited to share our second Front Cover of 2025 in Journal of Chemical Theory and Computation!
👉 Check it out here: https://t.co/NTUxPUrL1C
👉 Article: https://t.co/oup6LU0ZVn
#MyACSCover @ACSPublications
@RESMOL_UAH @UAHes @IQAR_UAH

[Luis Manuel Frutos @LM_Frutos]

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! 📄 https://t.co/vy4jmZ3pgV

[Luis Manuel Frutos @LM_Frutos]

Honored to contribute to the J. Phys. Chem. B Festschrift celebrating Prof. Massimo Olivucci 🙌
👉 Our paper on the mechanical control of retinal excitation energy: https://t.co/Hdy1PpfSwB
A tribute to a dear scientific mentor, an inspiring scientist and a wonderful person.

[RESMOL @RESMOL_UAH]

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

[RESMOL @RESMOL_UAH]

🔧 First theoretical and computational model to quantify mechanical work in ball-milling reactions!
By RESMOL group (UAH) — now in JCTC @ACSPublications.
📄 https://t.co/pMIHJZsCRR
💻 https://t.co/ukVSPCjgTj

#mechanochemistry #ballmilling #compchem #GreenChemistry

[Luis Manuel Frutos @LM_Frutos]

🎉 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!
🔗 https://t.co/69guW5q1Jb
#MyACSCover @ACSPublications

[GRUFO-RSEQ @GrufoRSEQ]

🎖️🎖️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 https://t.co/Lyq15lUeyt

[RESMOL @RESMOL_UAH]

📜 Our last paper on @JCIM_JCTC. 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: https://t.co/4Fz0PYEJzn
🎧 Listen podcast: https://t.co/jR6UGEU7g9

[AIP Publishing @AIP_Publishing]

Model quantifies the energy variations produced by chemical substitution. https://t.co/oTcOmIgnoF #scilight

[Luis Manuel Frutos @LM_Frutos]

Our thoeretical model for substituent effect has been published in J.Phys.Chem @AIP_Publishing https://t.co/XzyQLXjuso. Featured article https://t.co/M2P95kb3HG and AIP Scilight https://t.co/eyNTcbKdB1