This book presents cutting-edge concepts, paradigms, and research highlights in the field of computational materials science and engineering, and provides a fresh, up-to-date perspective on solving present and future materials challenges. The chapters are written by not only pioneers in the fields of computational materials chemistry and materials science, but also experts in multi-scale modeling and simulation as applied to materials engineering. Pedagogical introductions to the different topics and continuity between the chapters are provided to ensure the appeal to a broad audience and to address the applicability of integrated computational materials science and engineering for solving real-world problems.
This book presents cutting-edge concepts, paradigms, and research highlights in the field of computational materials science and engineering, and provides a fresh, up-to-date perspective on solving present and future materials challenges. The chapters are written by not only pioneers in the fields of computational materials chemistry and materials science, but also experts in multi-scale modeling and simulation as applied to materials engineering. Pedagogical introductions to the different topics and continuity between the chapters are provided to ensure the appeal to a broad audience and to address the applicability of integrated computational materials science and engineering for solving real-world problems.
Represents a most comprehensive book on integrated computational materials science and engineering (ICMSE) Provides multiscale approaches to bridge models at different scales Written by world renowned experts and pioneers in the field Contains a unique combination of complementary cutting-edge topics presented in a pedagogical way with practical examples Includes supplementary material: sn.pub/extras
Pierre Deymier
Computational Materials Science and Engineering Interatomic Potentials Multiscale Modeling Nano- and Meso-Scale Materials Phenomena Nano- and Meso-Scale Materials Phenomena Orbital-free Density Functional Theory (OFDFT) Path Integral Molecular Dynamics (PIMD) Phase Field Methods Predictive Simulation