Bayesian Optimization for Materials Science

• Main Author: Packwood, Daniel (Author)
• Corporate Author: SpringerLink (Online service)
• Format: Electronic eBook
• Language: English
• Published: Singapore : Springer Singapore : Imprint: Springer, 2017.
• Series: SpringerBriefs in the Mathematics of Materials, 3
• Subjects: Materials science.; Statistics.; Materials Science.; Energy Materials.; Statistical Theory and Methods.; Statistical Physics and Dynamical Systems.

This book provides a short and concise introduction to Bayesian optimization specifically for experimental and computational materials scientists. After explaining the basic idea behind Bayesian optimization and some applications to materials science in Chapter 1, the mathematical theory of Bayesian...

Table of Contents:

• Chapter 1. Overview of Bayesian optimization in materials science
• Chapter 2. Theory of Bayesian optimization
• Chapter 3. Bayesian optimization of molecules adsorbed to metal surfaces.