Bálint Máté
@balintmate.bsky.social
Reposted by Bálint Máté
🚀 After two+ years of intense research, we’re thrilled to introduce Skala — a scalable deep learning density functional that hits chemical accuracy on atomization energies and matches hybrid-level accuracy on main group chemistry — all at the cost of semi-local DFT ⚛️🔥🧪🧬
June 18, 2025 at 11:24 AM
🚀 After two+ years of intense research, we’re thrilled to introduce Skala — a scalable deep learning density functional that hits chemical accuracy on atomization energies and matches hybrid-level accuracy on main group chemistry — all at the cost of semi-local DFT ⚛️🔥🧪🧬
hello bluesky! we have a new preprint on solvation free energies:
tl;dr: We define an interpolating density by its sampling process, and learn the corresponding equilibrium potential with score matching. arxiv.org/abs/2410.15815
with @francois.fleuret.org and @tbereau.bsky.social
(1/n)
tl;dr: We define an interpolating density by its sampling process, and learn the corresponding equilibrium potential with score matching. arxiv.org/abs/2410.15815
with @francois.fleuret.org and @tbereau.bsky.social
(1/n)
December 17, 2024 at 12:32 PM
hello bluesky! we have a new preprint on solvation free energies:
tl;dr: We define an interpolating density by its sampling process, and learn the corresponding equilibrium potential with score matching. arxiv.org/abs/2410.15815
with @francois.fleuret.org and @tbereau.bsky.social
(1/n)
tl;dr: We define an interpolating density by its sampling process, and learn the corresponding equilibrium potential with score matching. arxiv.org/abs/2410.15815
with @francois.fleuret.org and @tbereau.bsky.social
(1/n)