Online now in Matter_CP "Conformational emissive states in dual-state emitters with benzotriazole acceptors" - check out the collaboration by Lizbeth Rodríguez, Federico Hernández, MarioRgz, rosemary jimenez lab, Rachel Crespo-Otero, @MolinaGroup@Matter_CP #ACSSpring2023 hubs.li/Q01J3z3n0

Let’s start the month talking about two astonishing Dual-State Emitters with anti-Kasha behavior 💥🤩✨ Please, check it out!!!

Check out our last paper, just accepted CrystEngComm, about the mechanical properties of molecular #perovskites, in collab with kieslichgroup, Keith Butler and others. #compchem by Shivani Grover. pubs.rsc.org/en/content/art…

Just published! New 1D rotors with attenuated emission. What a team!! Rodríguez-Molina group Ernesto Abraham Colin-Molina 👨‍🔬 Jessica Arcudia Gabriel Merino Rachel Crespo-Otero. Check it out Crystal Growth & Design / ACS 🔥 ACCESS:

Te invitamos a participar!

Very happy to share our last work with this amazing team Jingbai Li, Rachel Crespo-Otero,@StevenLopez_neu and Christian Salguero. We applied machine learning accelerated nonadiabatic dynamics to give a complete picture of singlet fission mechanism in pentacene crystal. PyRAI2MD&fromage 💪🏽

I am thrilled to have been awarded the TYC Early Career Award. Thank you so much to the Thomas Young Centre , Queen Mary University of London and UCL Chemistry for all these years. Most importantly, thank you, Rachel (Rachel Crespo-Otero), for everything. which is a lot! At both the personal and professional levels.

I am very happy to see this paper published. This is the first determination of the decrease in the activation barrier catalysed by one water molecule. Something that remained elusive over two decades! Thanks to Rachel Crespo-Otero and PRS-Group

Super happy about this paper! It was a great collaboration with Artur Mardyukov and PRS-Group. Huge thanks to Federico Hernández and my long-time friend and collaborator Artur Mardyukov. Our first paper together was in 2008 when we were both PhD students :-)

Last week to submit your abstract for MQT 2024. Exciting quantum science in a stunning location, with an engaging and diverse group of excellent scientists. It doesn't get much better than that! Deadline Friday August 2nd: mqt2024.org/submission.html Retweets appreciated!

A very exciting tool to calculate photoabsorption cross-sections, developed by Daniel Hollas!!!

I have a PhD scholarship (UCL-A*STAR) in "Data-driven analysis of excited states in metal-organic frameworks". This is a collaboration with Mike Sullivan. See the details of the scholarship following this link: findaphd.com/phds/project/a…

How to select initial conditions for nonadiabatic molecular dynamics? Have a look at our recent article in Accounts of Chemical Research for an overview of methods tackling this question. doi.org/10.1021/acs.ac… #compchem The Slavíček Group Bristol Chemistry European Research Council (ERC) ACS Publications

A new initiative to build benchmarks to standardise non adiabatic dynamics methods. What processes, initial conditions methods, electronic structure, propagation methods and observables should be considered. And also, the role of experiments. arxiv.org/abs/2502.14569

Our most recent preprint on modelling excited states in covalently connected crystals like MOFs and organic polymers can be found in ChemRxiv. Thanks to Michael Ingham for the hard work. go.shr.lc/44mefar