🥳Congratulations to Daniel Probst (@skepteis.bsky.social) & Jan Weinreich, winners of Digital Discovery’s Outstanding Early Career Researcher Award with their paper! 📖Read their full paper "Learning on compressed molecular representations" here:

New in Digital Discovery: ML + molecular dynamics used to design self-healing vitrimers with high Tg—before lab work begins. 📖 doi.org/10.1039/D5DD... #MaterialsScience #ML #Vitrimers #DigitalDiscovery

New in Digital Discovery: A review on how flow chemistry enhances high-throughput screening—overcoming key limitations and expanding the discovery space. 📖 doi.org/10.1039/D5DD... #HTS #FlowChem #Automation

The editors of Digital Discovery wish all of the participants at the upcoming 8th Artificial Intelligence in Chemistry Symposium an interesting and exciting meeting! The journal is proud to sponsor a poster prize for this year's conference. Find out more: www.rscbmcs.org/even...

Excited to see our work featured by Digital Discovery! Tired of quantum noise ruining your chemistry sims? Our new MREM method brings multireference insight to error mitigation—boosting accuracy for strongly correlated molecules on NISQ hardware. Proud of this collaboration with @rahmlab.bsky.social

Tired of quantum noise ruining your chemistry simulations? Our new MREM method brings multireference insight to error mitigation, boosting accuracy for strongly correlated molecules on near-term quantum devices. @rahmlab.bsky.social @dobrautz.bsky.social Read the paper here: doi.org/10.1039/D5DD...

What a catch! 🎣 Huge congratulations to @boser-florian.bsky.social for winning the first place poster prize at this year’s @accelerationc.bsky.social Conference in Toronto awarded by @digital-discovery.rsc.org! 🥇 Thanks to the judges & organizers! #Accelerate2025 doi.org/10.1039/D4DD...

Xu Chen receives a runner-up award from Digital Discovery for "Accelerated Design of Synthetic Microbiome for Sustainable Chemical Production from Organic Waste" at the 2025 Accelerate Conference. Dr Chen works with Prof. Lawson and Prof. Moosavi at U. Toronto. Please join us in congratulating Xu!

Florian Boser (@boser-florian.bsky.social, @gloriusgroup.bsky.social) receives the best poster award from Digital Discovery at the 2025 Accelerate Conference for "Calibration-Free Quantification and Open Source Data Analysis for High-Throughput Reaction Screening". Join us in congratulating Florian!

Dr Yuchen Wang of Kansas State University is the latest data reviewer to selected in our prize draw for the exclusive Digital Discovery mug. Interested in becoming a data review for Digital Discovery? Find out more on our blog: blogs.rsc.org/dd/data-revi...

Registration for the Materials and Molecular Modelling Hub conference closes soon, on 17 August! Don't miss your chance to participate. Digital Discovery and @pccp.rsc.org are proud to join other RSC journals in sponsoring prizes at this year's meeting. Find out more: thomasyoungcentre.or...

Digital Discovery Issue 8 is online and #OpenAccess pubs.rsc.org/en/journals/... Outside cover: Brandenburg et al. Read: doi.org/10.1039/D5DD... Inside cover: Haranczyk et al. Read: doi.org/10.1039/D5DD... Back cover: Dong, Wu, Lu, Wang et al. Read: doi.org/10.1039/D5DD...

In our latest featured article, Wang, Snurr et al. review the wide range of approaches to the use of generative AI in designing porous materials, and offer a perspective on incorporating these tools with experimental work. doi.org/10.1039/D5DD...

Dr Krishna Kumar Mohbey (Central University of Rajasthan) has been selected from our panel of reviewers in large language models (LLMs) as the winner of an exclusive Digital Discovery mug! Interested in reviewing LLM work for Digital Discovery? Find more details below: blogs.rsc.org/dd/llm-revie...

Digital Discovery is proud to support this year's @accelerationc.bsky.social Accelerate Conference, taking place August 11-14 in Toronto, Canada. The journal will be sponsoring prizes for the best posters! Online registration closes on 10 August. Find out more below. 2025.accelerateconf.ca/

We are pleased to feature a new article by Fitzner, Šošić, Hopp, and Brandenburg of Merck Group. The BayBE Bayesian Backend optimization platform is an open-source framework for BO in real-world industrial contexts. Read more in the open access paper: doi.org/10.1039/D5DD...

Digital Discovery and @pccp.rsc.org are proud to join other RSC journals in sponsoring prizes at this year's MMM Hub Conference. The conference runs 15-18 September in at Keele University. Early bird registration closes 3 August - find out more at the link below: thomasyoungcentre.or...

New featured paper by Whitter Pothen and Clark (@chemnetworks.bsky.social): PIL-Net is a physics-informed machine learning model that predicts atomic multipole moments quickly and with low error, achieving state-of-the-art performance on the atomic octupole moment property. doi.org/10.1039/D5DD...

Our congratulations to Calvin Yiu of the University of Bristol, winner of the Digital Discovery prize for the best talk at the 8th Machine Learning and AI in Bio(Chemical) Engineering Conference! Please join us in congratulating Calvin.

We're pleased to announce that Stephen Goodlett of Justus Liebig University Giessen is the winner of the Digital Discovery poster award at WATOC 2025, for "Multifidelity Approaches to Machine Learning Potential Energy Surfaces"! Please join us in congratulating Dr Goodlett.

"In scientific discovery, not all experiments work out. Syntheses can fail, materials can be unstable. How can BO handle this? Anubis looks at BO with "unknown infeasibility." Feasibility-aware BO lead to more valid experiments and faster discovery." Read more: doi.org/10.1039/D5DD...

We'd like to extend our thanks to all of Digital Discovery's reviewers for their support in preserving the quality and integrity of the journal, as we recognise our Outstanding Reviewers from 2024! Discover the reviewers who have gone above and beyond in our new Editorial: doi.org/10.1039/D5DD...

New featured paper from @moth-poulsen.bsky.social‬ (@upc.edu): New high-throughput platform for photoswitch charactarisation using UV-Vis, LEDs & Python. Cuts material use, boosts reproducibility. Validated several photoswitch classes. #chemistry #photoswitches #openscience doi.org/10.1039/D5DD...

Digital Discovery Issue 7 is now available! Discover our cover articles and much more: pubs.rsc.org/en/journals/... Inside cover: Nishio, Hitosugi et al., “A digital laboratory with a modular measurement system and standardized data format” Read: doi.org/10.1039/D4DD...

Digital Discovery Issue 7 is now available! pubs.rsc.org/en/journals/... Outside cover: Abolhasani et al., “A self-driving fluidic lab for data-driven synthesis of lead-free perovskite nanocrystals” Read: doi.org/10.1039/D5DD...

Our latest featured article introduces Alpha-Pharm3D, developed by the team of AlphaMol. This deep learning method predicts ligand-protein interactions using 3D PH4 fingerprints by explicitly incorporating geometric constraints. Read the paper here: doi.org/10.1039/D5DD...

Don't miss the 8th AI in Chemistry Symposium of ‪@rsc-cicag.bsky.social‬ and ‪@rscbmcs.bsky.social‬, 22-24 Sept in Cambridge, UK. We're proud to sponsor a poster prize for this year's conference. Bursaries for attendance are available - apply by 11 July. Find out more: www.rscbmcs.org/even...

atomate2 is a software framework for high-throughput computational materials science workflows, designed to address existing limitations in computational materials research infrastructure. Read today's featured article by Ganose, Jain et al. for more: doi.org/10.1039/D5DD...

In today's featured article, Kerackian, Romero-Laboureur et al. use high-throughput experimentation to construct a high-quality dataset on nitration reactions and use it to develop a predictive machine learning tool. Find out more in this open access Communication: doi.org/10.1039/D5DD...

Now in @digital-discovery.rsc.org, Xu introduces the ACES-GNN framework, designed to simultaneously improve predictive accuracy and interpretability by integrating explanation supervision for activity cliffs (ACs) into graph neural networks training. pubs.rsc.org/en/content/a...

Digital Discovery and @reactchemeng.rsc.org wish all the participants of this week's MABC meeting an interesting and exciting conference. We look forward to finding out the winners of our best poster and best talk prizes! www.mabc-cambridge.ai/

We're delighted to announce that our Editor-in-Chief @aspuru.bsky.social is part of the team that received the RSC's 2025 Environment, Sustainability and Energy Horizon Prize. Find out more about the award and the rest of the team on our web site: www.rsc.org/standards-an...

Excited to share the publication of our automated characterisation platform for measuring the quantum yield and half life of molecular photoswitches. The method is easy to use and reduce also the needed amount for characterisation. #chemsky #molswitch pubs.rsc.org/en/content/a...

🎉 Today we reveal the 2025 RSC Prize winners! 🎉 Celebrating excellence across research, diversity, tech roles, apprentices and partnerships. Join us in congratulating the remarkable individuals and teams advancing chemistry for society. buff.ly/K2un4O1 #Chemistry #ChemSky

In today's featured article, Brown et al. present the Scale-Up Crystallisation DataFactory, a stepping stone between screening platforms and pilot plants in the development of crystallisation processes. Read the open access article here: doi.org/10.1039/D4DD...

Please join us in congratulating Dr Bernadette Mohr of Humboldt University Berlin, winner of the poster prize sponsored by Digital Discovery at the @nfdi4chem.de Chemistry Data Days 2025! Dr Mohr's poster was "NOMAD and FAIR Chemistry: Building Bridges for Interdisciplinary Data Management".

Come and find me at #WATOC2025 at the @rsc.org booth 🥳 I'm representing @pccp.rsc.org and my colleagues from @chemicalscience.rsc.org and @digital-discovery.rsc.org will join me tomorrow! #chemsky Come and chat #compchem and grab a freebie while you're here! 🧪 #compchemsky

Today we are pleased to feature a Perspective on the growth, ongoing developments, and future of autonomous laboratories in China from Li, Ding, Liu, Chen, and Jiang. Read this open access article here: doi.org/10.1039/D5DD...

Can machine learning help us design better electrochemical sensors? Movassaghi, Perrotta & Andrews show how Bayesian optimization outperformed chemist-designed and randomly generated voltammetry waveforms to detect serotonin in complex in vitro conditions. Read the paper: doi.org/10.1039/D5DD...

Join us this October in Bangalore at the PCCP Symposium on Physics for Sustainability: Health, Energy, and Environment 🧪 📍 Indian Institute of Science (IISc), Bangalore 📆 16–18 October 2025 📢 Abstract Submission Deadline: 30 June 2025 ➡️ Find out more: rsc.li/SPHERE #chemsky @rsc.org

Ewan McQueen from the University of Strathclyde invites abstract submissions for the International Solar Fuels Conference 2025. Open to all career stages. Deadline for submissions: 23 June rsc.li/isf2025rschemS#ChemSky

Digital Discovery Issue 6 is now online and #openaccess! pubs.rsc.org/en/jour... Back cover: Yoshikawa et al., Perspective on “Self-driving laboratories in Japan” Read: doi.org/10.1039/D4DD...#openaccess!The artwork by Yumiko Miyahara includes an image by Kanda et al., licensed under CC BY 4.0.

We are delighted to announce the winners of the 2024 Nanoscale Horizons Outstanding Paper Award! 🏆 Join us in celebrating their excellent work and discover the winners and their amazing articles at: pubs.rsc.org/en/cont...

We are pleased to announce the winners of the 2024 Materials Horizons Outstanding Paper Awards! Discover our Outstanding Communication winners, Outstanding Communication runners-up and Outstanding Review winners in our Editorial: pubs.rsc.org/en/content/a...

Great to see PhD graduate Ignas get his lockdown project published in @digital-discovery.rsc.org - he wrote the ChemSPX package to probe parameter space while locked down then tested it on DMF hydrolysis (in the context of MOF synthesis) when labs reopened. pubs.rsc.org/en/content/a...

Today's featured Review article by Doloi, Ng Wei Tat et al. discusses how developments in 3D printing are democratizing self-driving lab systems, reducing costs and increasing accessibility. Read this open access article here: doi.org/10.1039/D4DD...

Digital Discovery Issue 6 is online and #OpenAccess pubs.rsc.org/en/jour... Outside cover: Gebbie et al., doi.org/10.1039/D4DD... Inside cover: Benner et al., doi.org/10.1039/D4DD...#OpenAccess

Digital Discovery Issue 6 is now available! pubs.rsc.org/en/jour... In this issue: Ion transport in ionic liquids, synthesizability prediction, a Perspective on self-driving laboratories in Japan and much more! #openaccess

Digital Discovery is proud to sponsor a poster prize at the 8th Artificial Intelligence in Chemistry Symposium of @rsc-cicag.bsky.social and @rscbmcs.bsky.social. This year's meeting runs 22-24 September 2025 in Cambridge, UK. Find out more and register here: www.rscbmcs.org/even...

@georgekarag.bsky.social introduces today's featured article: "Revolutionising digital process design! Our new digital tool uses data-driven experimentation to optimise liquid-liquid extractions. Faster development, smarter decisions, greener processes." Read the paper here: doi.org/10.1039/D5DD...