FHI-aims
fhi-aims.bsky.social
This is the BlueSky presence of the FHI-aims electronic structure code - https://fhi-aims.org/ . FHI-aims is a community-based electronic structure code for materials and molecules, efficient, all-electron, up to very large systems.
👤 Joined on 10 November 2023
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- 10 Kas 2023, 21:12
🎉 Bluesky'e katıldı - İlk kullanıcı adı:
@fhi-aims.bsky.social - 12 Kas 2023, 22:09
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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
Show Post@compchemsky The next @fhi-aims.bsky.social webinar will be held on October 07 and October 08, 2026. Automated Data Generation for Machine Learning Force Fields with aims-PAX and FHI-aims Talk and Speaker: Tobias Henkes (University of Luxembourg) events.ms1p.org/event/23/
Show PostDensity functional theory with a four-component treatment (no approximation to the spin-orbit coupling operator) extended to very large systems, an epic advance spearheaded by @wentao-zhang.bsky.social : arxiv.org/abs/2608.00773 #compchemsky @fhi-aims.bsky.social
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Skala, our XC functional, now outperforms the best global hybrids on GMTKN55, at the cost of a semi-local functional. Coming soon to many popular DFT packages, starting with @cp2k.bsky.social, Psi4, ORCA by @faccts.de, VASP, and @fhi-aims.bsky.social
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