collaborators

1 paper

cond-mat.mtrl-sci2024

A method for the automatic generation of a minimal basis set of structural templates for material phase-space exploration

Caja Annweiler, Simone Di Cataldo, Maurits W. Haverkort +1

We present a novel method for predicting binary phase diagrams through the automatic construction of a minimal basis set of representative templates. The core assumption is that an…