Bayesian Optimization for Materials Science

ISBN-13: 9789811067808 / Angielski / Miękka / 2017 / 42 str.

Daniel Packwood

Opis

Finally, Chapter 3 discusses an application of Bayesian optimization to a complicated structure optimization problem in computational surface science.Bayesian optimization is a promising global optimization technique that originates in the field of machine learning and is starting to gain attention in materials science.

Spis treści

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.