The approach using RL to model time-resolved neutron reflectometry data was first reported in M. Doucet et al, J. Phys. Chem. Lett. 2024, 15, 16, 4444–4450. This repository contained the original version of the demonstration code. It has since evolved into a package that can be used to process t-NR data from the Liquids Reflectometer at ORNL. It can also be extended for other facilities.
Clone the repo:
git clone https://github.com/mdoucet/time-resolved-nr
cd time-resolved-nr
Then create the environment:
python3 -m venv venv
source venv/bin/activate
pip install --upgrade pip
pip install -r requirements.txt
pip install ipykernel # Optional: To use the jupyter notebooks
pip install -e .
Examples from the paper are in the notebooks directory, and examples from users will be added to
the examples directory.
- Determine scale from first time step
- Option to set scale
- Way to monitor during training