Can you tell us what types of materials we are working on?
I am happy to contribute to basic materials science, but do they have a practical application such a solar cells, bio-fuels or pharmaceuticals?

This project requires somewhat more computing resources than most, and it would be good to know that it is worth the investment.

Thanks.

We work on methods able to find new materials but photoreactive drugs are also of interest.
Your calculations allow us to explore the chemical space to find new chemical environments to train our AI models

I'm interested in your work, but the publications so far only mentions the application we are supporting. This project is creating new molecules using quantum chemistry that could be used to train a better AI model that can deal with more exotic molecules. I would like to ask are there more interesting results that can be used by other scientists like below, or the project needs more computation to lead to these results? What are the next steps?
a) Pre-trained AI model that generates only stable molecules
b) Stable molecule found by this project that is too exotic to be represented in SMILES
c) Pre-trained AI model trained with this project that can accelerate or replace NwChem even for exotic input
d) Screening library generated by this project that can be used in medicine or material research
e) Comprehensive dataset of quantum properties of molecules covering vast chemical space