General purpose Slater-Koster tight-binding library for electronic structure calculations
-
Updated
Feb 1, 2024 - Python
General purpose Slater-Koster tight-binding library for electronic structure calculations
Calculates approximate properties of alloy compositions
NEB technique for HEAs
Evolutionary algorithm for development of glassy alloy materials
Introducing AlloyBERT: a transformer encoder-based model for predicting alloy properties from textual inputs. Leveraging RoBERTa and self-attention mechanisms, it achieves superior performance, surpassing shallow models.
Add a description, image, and links to the alloys topic page so that developers can more easily learn about it.
To associate your repository with the alloys topic, visit your repo's landing page and select "manage topics."