Machine learning for materials discovery : numerical recipes and practical applications

Abstract

This book covers broad areas of data-driven modeling, ranging from simple regression to advanced machine learning and optimization methods for applications in materials modeling and discovery. The book explains complex mathematical concepts in a lucid manner to ensure that readers from different materials domains are able to use these techniques successfully. A unique feature of this book is its hands-on aspecteach method presented herein is accompanied by a code that implements the method in open-source platforms such as Python.