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Last month, we released a major update to the NequIP framework that fully leverages PyTorch 2.0 compilation for MLIPs. It’s significantly faster, easier to use, and more versatile than before. Preprint: arxiv.org/abs/2504.16068 Code: github.com/mir-group/nequ… nequip.readthedocs.io

Proofs are getting worse and worse. What the largest for-profit scientific publisher (with 8 letters) has been doing for years, another large publisher (with 5 letters) is now doing, too. The “galley proof” (with many weird errors, produced by the typesetter, not by the authors)

Matbench Discovery is out in Nature Machine Intelligence @ Paper: rdcu.be/esRFB Leaderboard: …tbench-discovery.materialsproject.org No better time to thank all my co-authors Rhys Goodall, Philipp Benner, Yuan Chiang Yuan (Cyrus) Chiang, Bowen Deng, Mark Asta, Gerbrand Ceder Ceder Group,

欠陥耐性制御に関する論文がJ. Am. Chem. Soc. に掲載されました。高活性光触媒SrTiO3:Alにおける、Alドープの役割を第一原理計算から調べ、Alはキャリアのトラップ準位の原因となる軌道相互作用を非活性化し、欠陥耐性を高めることを明らかにしました。Seán Kavanagh Aron

Thanks to Seán Kavanagh’s huge help, this research came to life👻