paolagorigiorgi.bsky.social
Computational/Theoretical/Mathematical Chemistry | Electrons | Density Functional Theory | presently at Microsoft Research AI for Science
👤 Joined on 07 December 2024
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@paolagorigiorgi.bsky.socialSkala, 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
Show PostSkala at @dft2026eus.bsky.social, presented by @paolagorigiorgi.bsky.social #DFT2026
Show Post👉Also Sorbonne bsky.app/profile/sorb... pulled out of 'THE' University Ranking 👇 Important step in times of massive, systematic gaming by Universities, being a main incentive for Hyperprolific Publishing, Citation Cartels, Paper Mills & Junk Science! #researchintegrity, #Chemsky, #CompChemSky
Show PostExactly the same argument, just growing exponentially as the number of parameters 🤪 I will continue tomorrow preparing slides for my DFT MSc lectures 😅
Show PostCongrats to everyone involved but especially @jan.hermann.name , David Williams-Young, Sebastian Ehlert, and perhaps others who I know on the author list. #chemsky #compchemsky
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