We made the cover of Digital Discovery (@rsc.org)! Maria Petrov shows ML potentials achieve DFT accuracy for anharmonic phonons in molecular crystals, with sub-percent frequency errors at a fraction of the cost. @urochester.bsky.social @unistrathclyde.bsky.social doi.org/10.1039/d6dd...

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I still remember the eye-opening moment when I realized that Bragg and diffuse scattering are both just a sum of waves... I can finally share an applet where anyone can put it into action. No equations, just a play of cosines: CosPlay 👉 stecanossa.com/cosplayapp/ #Crystallography #TotalScattering

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"I'd really like to be recognised for my journalism outside of New Zealand" *monkey's paw curls*

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🎉 New FHI-aims release! 🎉 Version 261002 is now available, with a huge amount of changes inside, and 25 contributors putting some new code into this version. A big thank you to everyone! You can see the full list of changes and the people that made them possible here: fhi-aims.org/uploads/docu...

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The heroic @fhi-aims.bsky.social team - 25 contributing developers this time, including those at MS1P e.V., published a new stable release today, version 261002: fhi-aims.org This has a remarkable amount of new functionality, also speedups - really a great community! #compchemsky #chemsky

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