✨ new work: "Truncated automatic sparse differentiation for MLIPs" with @adrianhill.de & @micheleceriotti.bsky.social has arrived on the arXiv. In a 🥥: we exploit that MLIP Hessians are sparse and decay with distance with a "truncated" variant of automatic sparse differentiation. See figure. 👇

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We have released ShiftML4! ShiftML4 comes with built-in molecular corrections, elevating the chemical shielding predictions to hybrid-DFT level quality. Try it yourself on shiftml.org, or from the PyPi package.

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#chemsky #compchemky A huge thank you to Michele Pavanello, Oliviero Andreussi, Francesco Paesani and everyone at the 2026 Quantum Multiscale Hackathon at Rutgers in New Brunswick, NJ. quantum-multiscale.org/hackathons/p... I was able to go for a day only but really grateful for this.

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I’ve officially resigned as Associate Editor for Frontiers in Systems Neuroscience. It used to be a reputable journal, but became a case study in how forced automation destroys academic integrity. 👇

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Congrats on the JOSS paper.

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