Digital Discovery
@digital_rsc
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Cambridge, UK
Joined June 2021
RT @digital_rsc: The RSC's content on digital chemistry - including Digital Discovery! - will soon also appear on LinkedIn. Find us here: h….
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Digital Discovery Issue 6 is now online! Back cover: Yoshikawa et al., Perspective on “Self-driving laboratories in Japan”.Read: The artwork by Yumiko Miyahara includes an image by Kanda et al., licensed under CC BY 4.0.
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Digital Discovery Issue 6 is online and #OpenAccess Outside cover: Gebbie et al., Inside cover: Benner et al.,
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Digital Discovery Issue 6 is now available! In this issue: Ion transport in ionic liquids, synthesizability prediction, a Perspective on self-driving laboratories in Japan and much more! #openaccess
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G. Karageorgis introduces this featured paper: "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:
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RT @vss31: Happy to see our latest publication online as an advance article published in @digital_rsc. Digital platforms lead to the develo….
pubs.rsc.org
Perovskite materials have demonstrated great potential for a wide range of optoelectronic applications due to their exceptional electronic and optical properties. However, synthesising high-quality...
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RT @marci_zanatta: Thrilled to see our latest publication out in @digital_rsc on digital platforms for improved perovskite multimaterial. A….
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Today's featured article from Yaghi et al. assesses popular LLMs as tools for extracting information from the literature on reticular chemistry, in particular generating Q&A datasets and extracting synthesis conditions. Read the open access paper here:
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Our next featured article, from Wen, Srolovitz, et al., presents ElaTBot, an LLM integrating natural language processing with materials science knowledge, using elastic constant tensor prediction as a case study. Read the open access paper here:
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#DigitalDiscovery is proud to support the workshop on sustainable exploration of chemical spaces with machine learning, taking place September 29 – Octboer 1 in Dresden, Germany. Application deadline: June 15, 2025. More details at
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RT @Lmedranos88: 👋Just two weeks left to register for the #SusML Workshop 2025 in Dresden! Have a look at our exce….
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RT @pinyuchenTW: A fun project with @riavinod_ @payel791 @IBMResearch using model reprogramming techniques to "translate" a pretrained Engl….
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In our next featured article, @pinyuchenTW et al propose Representation Learning via Dictionary Learning (R2DL) to reprogram English language models for cross-domain tasks that perform well on protein property prediction tasks. Read the paper:
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Today's featured Review article from Wei et al. explores how artificial intelligence tools can support the development of anti-addiction medications, investigating new tools and upcoming research trends. Read the open access article:
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This featured Communication article from Haddadnia, Grashoff, and Strieth-Kalthoff introduces BoTier, a library for BO experiment planning that can represent a hierarchy of preferences. Read the paper: Find BoTier on Github:
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Ju, You, et al. evaluate pretrained ML potential SevenNet-0 on liquid electrolytes. Trained on inorganic data, SevenNet-0 performs unexpectedly well on these out-of-distribution systems, showing interpolation ability and improvement with fine-tuning.
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Digital Discovery Issue 5 is now online and #openaccess! Back cover: Fedik et al., “Challenges and opportunities for machine learning potentials in transition path sampling: alanine dipeptide and azobenzene studies”.Read:
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Digital Discovery Issue 5 is online and #OpenAccess Outside cover: Hilton et al.,.Read: Inside cover: Bardow et al. Read:
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