Derk Kooi
derkkooi.bsky.social
Derk Kooi
@derkkooi.bsky.social
Senior Researcher @ Microsoft Research AI for Science
Bestuurslid @kwakzalverij.nl
Rabbit fan

Lost quantum chemist working in AI

Views are my own and do not necessarily reflect those of my employer!
This week I will be in Lausanne for Psi-K. Any bluesky tweeps around? 😄
August 25, 2025 at 6:57 AM
Come join our wonderful team!
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...
🚀 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 ⚛️🔥🧪🧬
July 8, 2025 at 4:48 PM
Reposted by Derk Kooi
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...
🚀 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 ⚛️🔥🧪🧬
July 8, 2025 at 10:44 AM
Reposted by 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 ⚛️🔥🧪🧬
June 18, 2025 at 11:24 AM
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
Look Around You: Season 1 Pilot - Calcium
YouTube video by DocShadow660
youtu.be
January 5, 2025 at 8:39 PM
Just received word that Boltzmann is still trapped in the coffee corner.
December 15, 2024 at 12:11 PM
I'm curious to know if anybody has done a comparison of the performance of torch.autograd and torch.func regarding speed, memory usage and so on. I like torch.func a lot, but it won't be so easy to convince others without showing (at least) equivalence.
December 2, 2024 at 10:04 AM