Rianne van den Berg
@riannevdberg.bsky.social
Deep learning, computational chemistry, generative modeling, AI for Science. Principal Research Manager at Microsoft Research AI for Science.
Reposted by Rianne van den Berg
Future versions of our Skala functional, bsky.app/profile/jan...., will be trained on increasingly diverse yet steadfastly accurate data, and for multireference systems we'll need every possible tool from the quantum chemistry toolbox, and then some more. With Orbformer, we're making our own tools
🚀 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 26, 2025 at 9:15 AM
Future versions of our Skala functional, bsky.app/profile/jan...., will be trained on increasingly diverse yet steadfastly accurate data, and for multireference systems we'll need every possible tool from the quantum chemistry toolbox, and then some more. With Orbformer, we're making our own tools