Just received word that Boltzmann is still trapped in the coffee corner.
Derk Kooi
We are eSKALAting our development of exchange-correlation functionals!
Derk Kooi
🚀 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 ⚛️🔥🧪🧬
Interested in our mission to make DFT more accurate and push what’s possible in quantum chemistry? Do you want to directly contribute? We're hiring a senior software engineer and a senior researcher:
jobs.careers.microsoft.com/global/en/jo...
jobs.careers.microsoft.com/global/en/jo...
Postdoc openings on experimental data integration integration into BioEmu-next, focusing on cryo-EM and binding affinities. Join us at @msftresearch.bsky.social Cambridge or Berlin. #AI #MachineLearning #Protein #Biology
apply.careers.microsoft.com/careers/job/...
📢 New Postdoc position
We just opened a 2-year ML Postdoc position at @msftresearch.bsky.social AI for science.
Come work with us on exciting challenges in #materials
Link to job application:
apply.careers.microsoft.com/careers/job/...
apply.careers.microsoft.com
🚀 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 ⚛️🔥🧪🧬
Drive an ambitious, high-impact, research agenda on machine learning for materials. Develop efficient and expressive machine learning models that address fundamental materials science problems. Work w...
Design and scale experimental datasets for ML Develop workflows that connect noisy experimental signals to actionable model insights 1. Bridging Models with Real-World Experimental Signals Develop met...
apply.careers.microsoft.com
Today we're sharing a major Skala update—new paper and model release. Skala is a deep-learning exchange-correlation functional for DFT that reaches 2.8 kcal/mol on GMTKN55, wins 32 of its 55 subsets, and leads on accuracy short of double hybrids at semi-local DFT cost
Look Around You is still one of my favourite comedy bits.
Watch the pilot on Calcium and see if we share the same humor: youtu.be/FBaVwwuErmU
Come join our wonderful team!
Jan Hermann
Jan Hermann
Jan Hermann
Jan Hermann
This week I will be in Lausanne for Psi-K. Any bluesky tweeps around? 😄
Claudio Zeni
Derk Kooi
YouTube video by DocShadow660
youtu.be
Skala community edition update: GPU4PySCF support is in ✅
That means Skala can plug into GPU-accelerated PySCF DFT workflows via GPU4PySCF (API-compatible with PySCF).
Install docs are in the repo README: github.com/microsoft/sk...
#DFT #PySCF #GPU #GPU4PySCF #CompChem
