This repo includes the report of my final year project during my undergrad in CUHK Physics.
The work is titled "Neural Network Fitting of Total Energy and Atomic Forces of Bulk Hexagonal Boron Nitride under Area Elements Representation".
It is a partial work to the publication "Parameter-Free and Electron Counting Satisfied Material Representation for Machine Learning Potential Energy and Force Fields", available at https://pubs.acs.org/doi/10.1021/acs.jpclett.3c03250.