Computational Chemist. Associate Professor at UCL. Associate Editor for the Journal of Materials Chemistry C and Materials Advances (RSC).https://bsky.app/profile/rcrespootero.bsky.socialhttps://bsky.app/profile/rcrespootero.bsky.social/post/3moi3eski6c2dI am super happy about this prize! Thanks to my amazing group, collaborators and mentors! :-)17 Jun 2026 10:15 +0000at://did:plc:ouwxqlt5jrf3llvb3f3cc3j6/app.bsky.feed.post/3moi3eski6c2dhttps://bsky.app/profile/rcrespootero.bsky.social/post/3mcrpbdqwoc2lI have a three-year PDRA position to work on the development of adaptive embedding methods. Please share this with anyone who may be interested. #CompChem https://www.ucl.ac.uk/work-at-ucl/search-ucl-jobs/details?nPostingId=16925&nPostingTargetId=40918&id=Q1KFK026203F3VBQBLO8M8M07&LG=UK&languageSelect=UK&mask=ext19 Jan 2026 13:02 +0000at://did:plc:ouwxqlt5jrf3llvb3f3cc3j6/app.bsky.feed.post/3mcrpbdqwoc2lhttps://bsky.app/profile/rcrespootero.bsky.social/post/3m62lgqiu3s2jI’m recruiting a PhD student through the UCL EPSRC Landscape Award (UELA) to work on machine learning models for excited-state properties in molecular organic crystals. 🔗 Project details: https://ucl-epsrc-dtp.github.io/2026-27-project-catalogue/projects/2531bd1634.html 🔗 UELA scheme: https://www.jobs.ac.uk/job/DPF708/50-fully-funded-4-year-epsrc-phd-studentships-in-science-and-engineering20 Nov 2025 10:42 +0000at://did:plc:ouwxqlt5jrf3llvb3f3cc3j6/app.bsky.feed.post/3m62lgqiu3s2jhttps://bsky.app/profile/rcrespootero.bsky.social/post/3lvkye26vns2qInspired by the Cyclobutanone Photochemistry Challenge, we assessed MRSF-TDDFT for its excited-state dynamics and found that an S₃/S₂ conical intersection likely plays a key role in the photochemistry. Take a look at our new preprint: https://chemrxiv.org/engage/chemrxiv/article-details/688b4bde728bf9025e40087304 Aug 2025 10:29 +0000at://did:plc:ouwxqlt5jrf3llvb3f3cc3j6/app.bsky.feed.post/3lvkye26vns2qhttps://bsky.app/profile/rcrespootero.bsky.social/post/3lvky7z3z6k2qA couple of papers from the group are finally out in JCTC and PCCP! We can do excited states in MOFs with fromage now! We looked at the dual emission in terephthalic and isophthalic acid crystals. Thanks to the wonderful work of Michael Ingham, Marcus, Ljiljana, and Michael Dommett04 Aug 2025 10:26 +0000at://did:plc:ouwxqlt5jrf3llvb3f3cc3j6/app.bsky.feed.post/3lvky7z3z6k2qhttps://bsky.app/profile/rcrespootero.bsky.social/post/3lndoqudpt22wOur 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 https://go.shr.lc/44mefar21 Apr 2025 17:27 +0000at://did:plc:ouwxqlt5jrf3llvb3f3cc3j6/app.bsky.feed.post/3lndoqudpt22whttps://bsky.app/profile/rcrespootero.bsky.social/post/3lksskrvb6k2oVery happy about this preprint from the group! In this paper, we analysed the excited states and dual emission in terephthalic and isophthalic acid crystals. Many thanks to Ljiljana for the excellent work and to Michael Dommett, who initiated this project! :-) https://chemrxiv.org/engage/chemrxiv/article-details/67af571b6dde43c908da6b2c20 Mar 2025 13:29 +0000at://did:plc:ouwxqlt5jrf3llvb3f3cc3j6/app.bsky.feed.post/3lksskrvb6k2ohttps://bsky.app/profile/rcrespootero.bsky.social/post/3lgzsitoyak2qI am very happy to see our paper on SF fission in pentacene crystals using ML-accelerated NAD finally published in Nat. Comm.!(https://nature.com/articles/s41467-025-56480-y). Many thanks to our fantastic team: @jingbai-li.bsky.social, Fede Hernandez, @stevenalopez.bsky.social, Christian, and the RS for funding!31 Jan 2025 10:36 +0000at://did:plc:ouwxqlt5jrf3llvb3f3cc3j6/app.bsky.feed.post/3lgzsitoyak2qhttps://bsky.app/profile/rcrespootero.bsky.social/post/3ldql2ixu7s23I have a PhD scholarship (UCL-A*STAR) in "Data-driven analysis of excited states in metal-organic frameworks". This is a collaboration with @mbsullivan.bsky.social. See the details of the scholarship following this link: https://www.findaphd.com/phds/project/a-3-year-phd-studentship-in-data-driven-analysis-of-excited-states-in-metal-organic-frameworks/?p18034420 Dec 2024 14:13 +0000at://did:plc:ouwxqlt5jrf3llvb3f3cc3j6/app.bsky.feed.post/3ldql2ixu7s23