Data-Based Methods for Materials Design and Discovery
Pilania, Ghanshyam / Lookman, Turab / Gubernatis, James E. / Balachandran, Prasanna V.
Machine learning methods are changing the way we design and discover new materials. This book provides an overview of approaches successfully used in addressing materials problems (alloys, ferroelectrics, dielectrics) with a focus on probabilistic methods, such as Gaussian processes, to accurately estimate density functions. The authors, who have extensive experience in this interdisciplinary field, discuss generalizations where more than one ...
