CLEASE

Danger

This app is currently in early testing. It is not advised to use it outside of the Warren Lab.

About

Quote

The Cluster Expansion in Atomic Simulation Environment (CLEASE) is a software package that simplifies the intricate setup and construction process of cluster expansion (CE). It provides a comprehensive set of tools for defining CE parameters, generating training structures, fitting effective cluster interaction (ECI) values, and running Monte Carlo simulations.

• GitLab Repository
• Official Documentation
• Published Paper