Machine learning software to learn negligible elements of the Hamiltonian matrix
As a follow-up to our recent Communication in the Journal of Chemical Physics [J. Chem. Phys. 159 071101 (2023)], we report and make available the Jupyter Notebook software here. This software performs binary machine learning classification (MLC) with the goal of learning negligible Hamiltonian matr...
| Main Authors: | , , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2023-12-01
|
| Series: | Artificial Intelligence Chemistry |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2949747723000258 |