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Joined June 2021
610 Photos and videos
Digital Discovery retweeted
The RSC's content on digital chemistry - including Digital Discovery! - will soon also appear on LinkedIn. Find us here: linkedin.com/showcase/digita…

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Digital Discovery retweeted
Digital Discovery is now on Bluesky! Find our latest news at bsky.app/profile/digital-dis…

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RT @RoySocChem: Social media and connecting with our community – moving on from X. rsc.org/news-events/articles…
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Digital Discovery Issue 6 is now online! pubs.rsc.org/en/journals/jou… Back cover: Yoshikawa et al., Perspective on “Self-driving laboratories in Japan” Read: doi.org/10.1039/D4DD00387J 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 pubs.rsc.org/en/journals/jou… Outside cover: Gebbie et al., doi.org/10.1039/D4DD00378K Inside cover: Benner et al., doi.org/10.1039/D4DD00394B
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Digital Discovery Issue 6 is now available! pubs.rsc.org/en/journals/jou… 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: doi.org/10.1039/D5DD00104H
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Digital Discovery retweeted
6 Jun 2025
Happy to see our latest publication online as an advance article published in @digital_rsc. Digital platforms lead to the development of improved single-crystal perovskite multimaterials. Great work from Diego Iglesias, @marci_zanatta and more @inam_uji t.ly/3FqvI
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Digital Discovery retweeted
Thrilled to see our latest publication out in @digital_rsc on digital platforms for improved perovskite multimaterial. A beautiful closing to @DiegoIglesias PhD journey — so proud of his brilliant work. Thanks to @vss31 and all collaborators. @inam_uji #cienciauji
6 Jun 2025
Happy to see our latest publication online as an advance article published in @digital_rsc. Digital platforms lead to the development of improved single-crystal perovskite multimaterials. Great work from Diego Iglesias, @marci_zanatta and more @inam_uji t.ly/3FqvI
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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: doi.org/10.1039/D5DD00081E
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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: doi.org/10.1039/D5DD00061K
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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 susml.net
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Digital Discovery retweeted
👋Just two weeks left to register for the #SusML Workshop 2025 in Dresden! susml.net Have a look at our exceptional lineup of speakers that will discuss current ML methods for the sustainable exploration of chemical spaces. @Psik_Network @nanoDresden @digital_rsc
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Digital Discovery retweeted
A fun project with @riavinod_ @payel791 @IBMResearch using model reprogramming techniques to "translate" a pretrained English language model for protein sequence representation learning. Our method can be on par with or even better than some of the protein foundation models!
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: doi.org/10.1039/D4DD00195H
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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: doi.org/10.1039/D4DD00195H
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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: doi.org/10.1039/D5DD00032G
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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: doi.org/10.1039/D5DD00039D Find BoTier on Github: github.com/fsk-lab/botier
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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. doi.org/10.1039/D5DD00025D
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Digital Discovery Issue 5 is now online and #openaccess! pubs.rsc.org/en/journals/jou… Back cover: Fedik et al., “Challenges and opportunities for machine learning potentials in transition path sampling: alanine dipeptide and azobenzene studies” Read: doi.org/10.1039/D4DD00265B
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Digital Discovery Issue 5 is online and #OpenAccess pubs.rsc.org/en/journals/jou… Outside cover: Hilton et al., Read: doi.org/10.1039/D4DD00330F Inside cover: Bardow et al. Read: doi.org/10.1039/D4DD00077C
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