Computational Organic Chemist
@University of Manchester #CompChem 💻 ⚛️ #Catalysis
🇪🇸 → 🇬🇧 | Mum of 3 boys 🤩
Cyclist 🚴♀️ | Yogi 🧘♀️ | Amateur cook
Rock music fan 🎸
🔗 https://trujilloresearchgroup.com/
Cristina Trujillo
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MSCA Postdoctoral Fellowships are open.
If you’re thinking of applying and your work fits catalysis / computational chemistry / QM-ML, feel free to get in touch for an informal chat.
marie-sklodowska-curie-actions.ec.europa.eu/whats-new/ne...
#MSCA #postdoc #compchem #catalysis #ML
New preprint out. Nice work by @jose-e.bsky.social and Baoquan Chen.
In a nutshell, our architecture takes in a set of graphs (e.g. molecules in a reaction) and interleaves node-level feature propagation and cross-graph contextual modelling at every layer of a GNN.
arxiv.org/abs/2606.05116
Cristina Trujillo
Hi folks, I’m on the ballot for President of the @rsc.org. I’m standing because we live in post-truth times where respect for expertise & evidence can no longer be taken for granted. It’s time to push back. If that resonates, RSC members can vote here www.mi-vote.com/secure/rsc 🗳️🙏
Professor David Leigh wins @rsc.org presidential election. Professor Leigh, @royalsociety.org Research Professor and Sir Samuel Hall Chair of Chemistry at @manchester.ac.uk, will be president-elect from 2026-28, when his presidential term begins.
Read more ➡️ www.rsc.org/news/profess...
Really happy to see our work out in Nat. Commun. @natureportfolio.nature.com! 🎉
Great collaboration, loved working with Olga & Lary, and big congrats to @jamesob2.bsky.social 👏⚛️🖥️
@officialuom.bsky.social
🔗 www.nature.com/articles/s41...
Really enjoyed it!
#Chemistry #Catalysis #CompChem
More good news this week!
Excited to share our new #JACS paper!
At @manchester.ac.uk we did computational analysis, explaining (E)/(Z) effects on rigidity & bioactive structure ⚛️🖥️
Congrats @jamesob2.bsky.social 👏
Great collab with @tcddublin.bsky.social
#compchem
pubs.acs.org/doi/10.1021/...
Really happy to see our #ChemPhysChem paper on computational design of bidentate hypervalent iodine catalysts rank among the journal’s top 10% most-viewed papers published in 2024.
Big thanks to @jamesob2.bsky.social and Nika Melnyk for all the great work on this project.
#Compchem #TopViewedArticle
Really pleased to be a keynote speaker at CBOND2026 in Brussels (8–11 Sept 2026).
Great meeting on chemical bonding & quantum chemistry, with an excellent line-up. Looking forward to it!
www.eurchembond.com/cbond2026/
#CBOND2026 #CompChem #QuantumChemistry
Daniel Probst
📢 PhD opportunity (EPSRC CASE) at @manchester.ac.uk and MedChemica.
Led by Andrew Leach and Lia Sotorrios, and I’m also in the supervisory team.
Computational chemistry, cheminformatics, drug discovery + industrial placement.
#PhD #ComputationalChemistry #DrugDiscovery #Cheminformatics
Dave Leigh
Royal Society of Chemistry
Cristina Trujillo
Cristina Trujillo
Cristina Trujillo
Cristina Trujillo
Yesterday was a special day: my PhD student, Nika Melnyk, became Dr. Melnyk!
Watching Nika grow into the scientist and person she is today has been a privilege, both scientifically and personally.
Huge thanks to examiners Mike Southern and Charles Romain!
#ProudSupervisor #CompChem
Cristina Trujillo
Cristina Trujillo
Chalcogen-bonding has garnered significant interest in the field of non-covalent catalysis, providing new possibilities through σ-hole interactions, but advancement in enantioselective catalysis has b...
The conference spans a broad range of topics, from fundamental concepts and state-of-the-art theoretical developments to frontier applications in molecules and materials, uniting the international chemical bonding community across theory and experiment.
Peptide macrocyclization offers a versatile method for enhancing peptide stability, cell permeability, and biological activity. Herein, we report a radical-mediated, thiol–yne process for peptide macr...
pubs.acs.org
PhD Project - (EPSRC CASE) Elevating Matched Molecular Pair Analysis with AI at The University of Manchester, listed on FindAPhD.com
