Promoted to Senior Lecturer 🎉⚛️🖥️ It wasn't an easy path, but it was worth it. Thank you to my family, my research group, colleagues, collaborators, mentors, and the Department of Chemistry, @manchester.ac.uk for all the support along the way. #Chemistry #AcademicLife #WomenInSTEM #CompChem

Great to finally visit the @uniofnottingham.bsky.social and give a seminar there! Lovely discussions, super-engaged audience, and a really nice atmosphere. Thanks Mattia & Miriam for the invite 😊 #Nottingham #Seminar #CompChem #AcademicLife

Really happy to see this work published in Nat. Comm. (@natureportfolio.nature.com)! It was a pleasure to be part of such a great collaboration with @lary-ma.bsky.social, Olga García Mancheño, and @trujillo-group.bsky.social. For those interested, check it out at: www.nature.com/articles/s41...

Happy to share our new #JACS paper! Very grateful to have contributed to the computational analysis, helping rationalise how E/Z geometry influences rigidity and bioactive conformations. Many thanks to Conor, Eoin, and @trujillo-group.bsky.social for the opportunity! pubs.acs.org/doi/10.1021/...

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/...

Synthesis of Macrocyclic Peptides via Photochemical Radical Thiol–yne Reaction

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

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

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

📢 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

(EPSRC CASE) Elevating Matched Molecular Pair Analysis with AI at The University of Manchester on FindAPhD.com

PhD Project - (EPSRC CASE) Elevating Matched Molecular Pair Analysis with AI at The University of Manchester, listed on FindAPhD.com

findaphd.com

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...

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

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

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

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 🗳️🙏

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

So, yesterday we were celebrating the 150th anniversary of the @tum.de EE department at the Deutsches Museum with some outreach activities. We are amazed at how interested people were! Plenty of families, visitors and school groups came to visit. And, of course, we had a lot of fun with them!

Excited to see our recent work on the electroreductive cleavage of C(sp³)–N bonds in saturated N-carbonyl heterocycles out in @jacs.acspublications.org 🔌Check the full study here: pubs.acs.org/doi/10.1021/...

Electroreductive Cleavage of C(sp3)–N Bonds in Saturated N-Carbonyl Heterocycles

Ring-opening C–N bond cleavage reactions provide an effective means to convert widespread, readily accessible chiral N-heterocycles into hard-to-attain stereodefined linear amines. Current strategies either rely on the strain-induced release of small aziridine and azetidine rings or, for larger ring systems, require highly electrophilic reagents, oxidative conditions, or preinstalled reactive functionalities to enable the ring-opening event. Recently, complementary radical strategies that exploit the reactivity of α-amino-ketyl radicals, formed upon single-electron transfer (SET) reduction of common N-carbonyl protecting groups, have emerged. Nevertheless, these methods facilitate the homolytic fragmentation only of up to 5-membered azacycles. In this study, we leveraged electroreductive conditions to switch the nature of the above C–N bond cleavage manifold from radical to ionic and enable the heterolytic ring-opening of a broad array of unstrained cyclic amines (comprising pyrrolidines, piperidines, azepines, azocanes, and N-macrocycles), protected as N-(thio)amides, carbamates, or ureas. Crucially, this electrochemically enabled reactivity switch grants complementary functional group compatibility and a broader ring size and N-carbonyl group scope. Computational and experimental studies indicate that electrochemical settings are crucial for generating the Mg(II)-Lewis acid catalyst, activating the N-carbonyl moiety while prompting the so-formed oxy-iminium ion intermediates to undergo two consecutive cathodic SET reductions, generating “umpoled” α-amino-α-oxy-carbanion species. These, via irreversible E1cB fragmentation of the adjacent C–N bond, lead to the desired ring-opened products. Our electrochemical procedure can be scaled up and miniaturized (enabling its application to high-throughput experimentation screening), and its synthetic utility has been demonstrated by accessing decorated stereodefined linear amides from stereochemically rich pyrrolidine and azepane derivatives.

pubs.acs.org

So excited to see this amazing work out today in #JACS! ⚡🎉 A great interdisciplinary project and wonderful team effort, combining electrosynthesis and #compchem with lots of creativity and collaboration! @manchester.ac.uk #Electrosynthesis #OrganicChemistry #ComputationalChemistry

Giacomo Crisenza@gemcrisenza.bsky.social · 5mo ago

Excited to see our recent work on the electroreductive cleavage of C(sp³)–N bonds in saturated N-carbonyl heterocycles out in @jacs.acspublications.org 🔌Check the full study here: pubs.acs.org/doi/10.1021/...

PhD opening in Trujillo Group @manchester.ac.uk Fully funded EPSRC DTP on automated mechanistic studies in catalysis! Collab Dr Alegre-Requena (Zaragoza). July/Oct 2026 start. Details/apply: www.findaphd.com/phds/project... #phd #catalysis #compchem #ml

EPSRC DTP - Automated mechanistic studies in catalysis with quantum chemistry and machine learning at The University of Manchester on FindAPhD.com

PhD Project - EPSRC DTP - Automated mechanistic studies in catalysis with quantum chemistry and machine learning at The University of Manchester, listed on FindAPhD.com

findaphd.com

This year, I didn’t want to write a polished “celebratory” post. I wanted to write something honest, probably a bit uncomfortable, maybe even too opinionated, but for those who know me well, that won’t be a surprise. 😉 #IWD2026 #Feminism #WomenInScience www.linkedin.com/feed/update/...

#iwd2026 #feminism #womeninscience #equalityforall #radicalequality #breakthepatriarchy | Dr. Cristina Trujillo

This year, I didn’t want to write a polished “celebratory” post. I wanted to write something honest, probably a bit uncomfortable, maybe even too opinionated, but for those who know me well, that won’...

linkedin.com

Our latest publication has been featured in the NAT news website at @tum.de We couldn't be happier with the nice opportunity and appreciation of our work. Can't wait to see what this project brings to the table next! www.nat.tum.de/en/nat/lates...

Scientists explore a smarter drug delivery strategy for cisplatin

A step towards next-generation cancer nanomedicine

nat.tum.de

Up at 3am. Flight at 5:30am, but… first weekend away on my own in forever. Heading to Copenhagen to see my bestie 🤩 All worth it 🤣🥳 #timeoff #friends #Copenhagen

📢 Postdoc fellowship – computational catalysis. Looking to support an outstanding early-career researcher interested in #CompChem catalyst design, mechanistic insight and QM + ML + experiment. ⏳ UoM internal deadline: late Feb 🔗 royalsociety.org/grants/newto... #Catalysis #Postdoc #NewtonFellowship

Newton International Fellowships | Royal Society

This fellowship is for non-UK scientists who are at an early stage of their research career and wish to conduct research in the UK.

royalsociety.org

Back home after a lovely 2-week break! 🐝 ​It was great, but we missed this little one, Dobby. I think he’s officially protesting my return to the office on Monday! 🐾 #BackToWork #HomeSweetHome

What a year. 2025 has been really tough, but also full of progress: new PhD, 6 papers, a Leverhulme grant, invited talks, new collabs (and even a break‑in at the office…). Very grateful for my team and collaborators. Time to rest and reset for 2026! 🥳 #Chemistry #Research #AcademicLife #CompChem

Rainy Manchester day, BEST surprise ☔️ The Dublin division showed up unexpectedly for our last seminar of the year ❤️ After everything this year has thrown at us, this really meant a lot. #ResearchGroup #PhDLife #AcademicLife #Manchester #Dublin #EndOfYear #ChristmasBreak

✅ Last week, the Scientific Advisory Board visited #IQF for two days of deep discussions, reviewing research, infrastructures & strategy to boost excellence and global impact. Grateful to all who made it possible!

Registration NOW OPEN for the 2026 #VWSCC! 📅 26-30 January 2026 Join researchers worldwide for lectures, SFPs, hands-on workshops (Q-Chem & GROMACS), and panel discussions! 🌟 Incredible international speaker lineup from leading scientists across the globe! Register free: www.winterschool.cc

Excited to share our book chapter "In silico Catalyst Design within Asymmetric Organocatalysis", published with Wiley. It covers computational methods from basics to data-driven approaches. @iiribarren.bsky.social @manchester.ac.uk onlinelibrary.wiley.com/doi/10.1002/... #Compchem #CatalystDesign

In silico Catalyst Design Within Asymmetric Organocatalysis

This chapter focuses on the fundamental design principles that guide computational studies in asymmetric organocatalysis, emphasizing key concepts such as transition state theory, the Curtin–Hammett ....

onlinelibrary.wiley.com

This weekend was cheesecake brownie time… made for @goar-sanchez.bsky.social’s colleagues. Hope they like it 🤞😄 #CheesecakeBrownie #homemadecakes #chemsistwhocook