Is a timely publication as Bayesian optimization gains interest in materials science, and is one of the few introductions to this method for materials scientists Makes the mathematical content appealing to materials scientists with its interesting application to structure optimization problems Enables materials scientists to use Bayesian optimization in their own research

Inhalt
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.