General purpose Slater-Koster tight-binding library for electronic structure calculations

Calculates approximate properties of alloy compositions

NEB technique for HEAs

Digital BH-loop algorithm

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.

Evolutionary algorithm for development of glassy alloy materials

Digital BH-loop algorithm

Formula-based calculator for alloy properties

BCC alloy XRD analyser, fits and claculates concentrations of alloy components and matches the formed oxide peaks to a database.

A model based on DNN and CNN neural networks for predicting the Gibbs energy minimum and accelerating the exploratory analysis step in alloy creation