This special issue aims to provide a platform for researchers to present their latest research on modelling and prediction methods for crystal structure refinement and phase diagram construction. The issue will cover a wide range of topics, including but not limited to machine learning, numerical studies, and other computational approaches. We welcome original research articles, reviews, and perspectives that contribute to the advancement of this field.

We invite authors to submit their original research articles, reviews, and perspectives on the topic of modelling and prediction methods for crystal structure refinement and phase diagram construction. Manuscripts will be peer-reviewed and selected based on their scientific quality, originality, and relevance to the scope of this special issue.

     

Crystal structure refinement; Phase diagram construction; Modelling; Prediction methods; Machine learning; Numerical studies; Computational approaches.