I think your hartree to meV is off by a 1000 (it should be around 27 eV)

This has forever tainted my image of squirrels

We hope that the work will spark some discussion throughout the MLIP community - users and developers alike - to pay attention not just to benchmark metrics, but also qualitative assessments of what their models are learning.

Slides are available here: laserkelvin.github.io/neurips24-ai...

The spotlight talk will be on our recent work diving into what gets learned by #equivariant neural networks used for interatomic potentials.

The key finding was that higher order (non-scalar) latent spaces were largely being ignored, which leaves modeling performance on the table.

My inaugural bluesky post!

I'm going to be at #NeurIPS in Vancouver 🇨🇦 and presenting a spotlight talk at the AI4Mat workshop!

If you're around, please say hi!

Please add me!