@liverpooluni.bsky.social research news 🌍 🏆 European Capital of Innovation finalist 🏭 £14M Sustainable Future Factory 🧪 £100M AI Materials Hub for Innovation 💡 Enterprise Report 2024–25 🧠 Original Ideas podcast 🎓 Research Fellowships open 📊 Global subject success 👉 www.linkedin.com/pulse/our-re...

New on ChemRxiv! chemrxiv.org/engage/chemr...

AstraZeneca scientists have developed an in-house web app that streamlines the design of LLE lab experimentation #ChemSky pubs.rsc.org/en/content/a...

🚀Unlocking new frontiers in photocatalysis with AI! Our latest @jacs.acspublications.org paper presents a 3️⃣-layer screening strategy for accelerated discovery of EnT-catalyzed dearomative cycloadditions! ✨ Check this out: pubs.acs.org/doi/10.1021/... #Photocatalysis #AIforScience #OrganicChemistry

Just out, "Selective CO2 Adsorption in Ultrahydrophobic Molecular Pyrene Frameworks by Computational Design" pubs.acs.org/doi/10.1021/.... Sam Harding was the student who led this. MeTBAP-α is one of the most hydrophobic porous solids reported, and this came out of a priori computational design 🚫💧

New study from the Women in Supramolecular Chemistry (WISC) revealing the unique challenges resulting from being First Gen (first generation of a family to access Higher Education) in science and showing how these persist at every stage of a career in academia: pubs.rsc.org/en/content/a...

Singh & Hernández-Lobato introduce meta-learning for predicting enantioselective outcomes in catalytic hydrogenations. Their approach quickly adapts to new reactions—often outdoing standard ML—using only minimal data. A leap forward in asymmetric catalysis. www.nature.com/articles/s41...

Delighted to share the first publication from our group at @livunisps.bsky.social in collaboration with @barryblight.bsky.social! In this work, we combine two of our favourite things: #automation and #photocatalysis! 🤖💡🧪 Huge congrats to Harri Jones and Chris Bradshaw 🎉 shorturl.at/A67BG

Excited to share our latest paper in collaboration with @jwward.bsky.social @uliverpoolMIF using the Chemspeed automated reaction platform to screen several photocatalysts and many reaction conditions for H2 production. Great job by Harri and Chris on this work! pubs.rsc.org/en/Content/A...

Kozlov et al. combined machine learning with terabyte-scale mass spectrometry data, uncovering unexpected reaction pathways hidden in archived experiments. Their approach confirms that unexamined data can yield new insights without extra lab work. www.nature.com/articles/s41...

Really grateful to be part of this review on predictions of selectivity, driven by @lukasmsigmund.bsky.social ! doi.org/10.1039/D5SC...

🚀 #PhD studentship available to work with me and Gabriella Pizzuto on the #digital transformation of chemical analysis for #sustainable materials development @livunisps.bsky.social in collaboration with @unileveruki.bsky.social, starting October 2025 🧪🤖 Deadline 30th April tinyurl.com/yf38kshs

Four-year PhD available in my lab, funded by Johnson Matthey/EPSRC with joint supervision from Prof Ian Fairlamb (also York). Come and explore using supramolecular gels in precious metal catalysis and create innovative, sustainable, ways of doing organic synthesis. www.findaphd.com/phds/project...

@samblau.bsky.social, Brett Savoie (Notre Dame), and I are organizing a symposium for @amerchemsociety.bsky.social Fall 2025 called "Chemical Reaction Networks, Retrosynthesis, and Reaction Prediction" under @acscomp.bsky.social. #reactionnetwork #CRN #retrosynthesis 🧪 ⚗️ #CompChem

Stevens et al. combined machine learning, high-throughput experimentation, and Bayesian optimization to rapidly optimize a nickel-catalyzed borylation. They achieved >99% yield and lower costs in just 120 experiments. pubs.acs.org/doi/full/10....

If you are working with #cof and #pxrd check out Sam's paper on pitfalls when analysing pxrd patterns #chemsky pubs.acs.org/doi/10.1021/...

new preprint on chemical synthesis ML models - showing how to combine multiple models in a principled way - modern Transformers + GNN to featurize chemical reaction: - new insights in where the models shine + bonus: find the quirky named reaction! Feedback welcome! arxiv.org/abs/2412.05269