atomate2 icon indicating copy to clipboard operation
atomate2 copied to clipboard

Feature: finetuning of CHGNet or other forcefields with DFT

Open JaGeo opened this issue 1 year ago • 1 comments

Describe the feature Anyone planning to write workflows to retrain CHGnet with DFT for specific problems?

@janosh @matthewkuner ?

JaGeo avatar Jul 22 '23 10:07 JaGeo

I think that would be useful, but I don't think it's on anyone's to do list at the moment.

janosh avatar Jul 22 '23 13:07 janosh