Krishnan, N. M. Anoop.

Machine Learning for Materials Discovery Numerical Recipes and Practical Applications / [electronic resource] : by N. M. Anoop Krishnan, Hariprasad Kodamana, Ravinder Bhattoo. - 1st ed. 2024. - XX, 279 p. 110 illus., 95 illus. in color. online resource. - Machine Intelligence for Materials Science, 2948-1821 . - Machine Intelligence for Materials Science, .

Part I: Introduction -- Part II: Basics of Machine Learning Methods -- Introduction to Data-Based Modeling -- Model Development -- Introduction to Machine Learning -- Quick Dive into Probabilistic Methods -- Optimization -- Part III: Application in Glass Science -- Property Prediction -- Glass Discovery -- Understanding Glass Physics -- Atomistic Modeling -- Future Directions.

Focusing on the fundamentals of machine learning, 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 aspect—each method presented herein is accompanied by a code that implements the method in open-source platforms such as Python. This book is thus aimed at graduate students, researchers, and engineers to enable the use of data-driven methods for understanding and accelerating the discovery of novel materials.

9783031446221

10.1007/978-3-031-44622-1 doi


--Data processing.










TA404.23