Amidst the #CCSC2026 posts, here’s a TBT #JournalClub from Gregor Lauter on the assessment of #MLIP for #GCMC gas adsorption in #framework materials by Jack Evans www.grynova-ccc.org/journal-club...
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#MLIP
Posts tagged #MLIP on Bluesky
With some delay today is a #tbt of latest #JournalClub entries from our group. First off, understanding and evaluating #uncertainty in #MLIP by @clarakirkvold.bsky.social www.grynova-ccc.org/journal-club...
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With some delay today is a #tbt of latest #JournalClub entries from our group. First off, understanding and evaluating #uncertainty in #MLIP by @clarakirkvold.bsky.social www.grynova-ccc.org/journal-club...
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Illustration of transition from low temperature brittle behaviour to high temperature ductile fracture in tungsten
Fully-funded PhD at @hetsys.bsky.social: ML for Fracture in Fusion Materials 🔬
Develop #MLIP for brittle-ductile transition in W for fusion, with me, @pbro.bsky.social, Albert Bartok-Partay and @erikbitzek.bsky.social
Deadline: 28th Jan
warwick.ac.uk/fac/sci/hetsys/themes/projects2026/2026-008/
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We have made the code, weights, and training dataset freely available for the community.
#ComputationalChemistry #MolecularDynamics #MachineLearning #StructuralBiology #DFT #AI #NNP #MLIP
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Transformer-Based Inter‑Atomic Potentials Achieve Learned Equivariance
TransIP, a transformer‑based framework, learned SO(3) symmetry and matched state‑of‑the‑art equivariant models on OMol25, delivering 40%–60% better performance than data‑augmentation. getnews.me/transformer-based-inter-... #transformer #mlip
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In particular this webinar looked at machine learning for interatomic potentials (MLIP). Watch the recording of this webinar on YouTube 👉 www.youtube.com/watch?v=hUhn...
#PSDI #Webinar #MachineLearning #MLIP #Data #Knowledge #Workflow
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I can see why there's a stink about the recent pokemon designs,But I can't hate it when it brought my #5 favourite pokemon, Zoroark. #mlip
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