Materials Theory publishes in all areas of theoretical materials science and related computational methods. The scope covers problems of mechanics, physics, and chemistry of metals and alloys, ceramics, polymers, functional and biological materials at all scales, and concerning the structure, synthesis, and performance of materials. Presenting novel theoretical concepts, models, and/or mathematical and computational formalisms that advance the state-of-the-art is essential for submissions to Materials Theory. The journal highly encourages contributions focusing on data-driven research, materials informatics, and the integration of theory and data analytics as novel means of predicting, designing and conceptualizing materials behavior.