Neural Network potential for Si by Gupta (2026) N=2 (in series of 3) v000
Abstract
This is a general purpose potential for solid state Si. It uses Behler Parrinello symmetry functions as descriptors, has 7 layers (including the output layer), and uses tanh activation functions. The potential was trained on a modified GAP PRX Si dataset, where all the liquid Si configurations were removed to ensure better model performance for the solid state Si. The number `N2` indicates that this is the second potential in the series of 3 identically trained potentials with the same dataset but with different initial weights.
Fields of Study & Subjects
Machine Learning in Materials Science
Advanced Chemical Physics Studies
Neural Networks and Applications
Publication details
- Journal / source
- Open Knowledgebase of Interatomic Models (OpenKIM)
- Publication date
- 1 January 2026