RESMOL

RESMOL group (University of Alcala)

[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]

📢 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/u0DBrH5tks

[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]

🔧 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

[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

[RESMOL @RESMOL_UAH]

Interested in how to modulate Efficiency and Color of Thermally Activated Delayed Fluorescence?
Read our latest JCTC to find it out!
https://t.co/owZaSY5h0m

[RESMOL @RESMOL_UAH]

Read this #preprint on @researchsquare: A Predictive Screening Tool to Evaluate the Efficiency of Z/E Photoisomerizable Molecular Switches https://t.co/UZPTrWpwih

[RESMOL @RESMOL_UAH]

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]

[ChemPhysChem @ChemPhysChem]

#OnTheCover Production of Dihydrogen Using Ammonia Borane as Reagent and Pyrazole as Catalyst (Ibon Alkorta and co-workers) https://t.co/1imw43YvTc @RESMOL_UAH @MaximeFERRER7 @AlkortaIbon @IQM_CSIC https://t.co/vU8uk4HM40

[RESMOL @RESMOL_UAH]

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 https://t.co/mvWS0jzzJq

[RESMOL @RESMOL_UAH]

Taking up the quest for novel molecular solar thermal systems: Pros and cons of storing energy with cubane and cubadiene

https://t.co/eBpQqPGP0T

[RESMOL @RESMOL_UAH]

Electro- and photochemical H2 generation by Co(II) polypyridyl-based catalysts bearing ortho-substituted pyridines - now published in Sustainable Energy & Fuels https://t.co/25ox7jFMC3

[Boron-Chem-Research @Boron_Chemistry]

Production of dihydrogen using ammonia borane as reagent and pyrazole as catalyst (@ChemPhysChem): https://t.co/Aq9kMkg15K (@RESMOL_UAH, @MaximeFERRER7, @AlkortaIbon, @IQM_CSIC).

[Elsevier Chemistry & Chemical Engineering Books @ELS_ChemBooks]

NOW PUBLISHED! https://t.co/tV5X03oASg Provides a comprehensive overview of photoactive systems and photochemical processes focusing on key computational methods. Edited by Cristina García Iriepa and Marco Marazzi @RESMOL_UAH @MarcoMarazzi1 #CHEMISTRY #elsevier #photochemistry

[RESMOL @RESMOL_UAH]

@UAH @IQAR_UAH @titulosfp @ETSII_UAH @ComunidadMadrid @todofp

ENG: RESMOL is hiring its next informatic technician (deadline: July, 16)

ESP: RESMOL está buscando su próximo técnico informático
(fecha límite: 16 de julio)

Link:
https://t.co/wSOLbVjuVb

[RESMOL @RESMOL_UAH]

Our DISCoVER project @UAHes @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 https://t.co/7rzToUhCqX #mdpiviruses @VirusesMDPI

[RESMOL @RESMOL_UAH]

What if we could reconsider common photoswitches as solar fuels? Here's our suggestions published in "Advanced Sustainable Systems":

https://t.co/F3MR4LZyxr

@IQAR_UAH @UAHes @CompChemNews @SolarFuels_UK @Wiley_Chemistry