Acquisition functions for density function theory (DFT) simulations for catalyst screening
We created a Docker image and used it to run everything in this repository. See the Dockerfile for the dependencies we installed into the image.
Acquisition functions for density function theory (DFT) simulations for catalyst screening
Acquisition functions for density function theory (DFT) simulations for catalyst screening
We created a Docker image and used it to run everything in this repository. See the Dockerfile for the dependencies we installed into the image.
Acquisition functions for density function theory (DFT) simulations for catalyst screening