Overview
- Focuses on the latest advances in the field of theoretical and computational materials science
- Presents the most advanced simulation techniques and theoretical approaches at the forefront of materials simulation and modelling
- Delivers a comprehensive overview of the latest advances, challenges, and accomplishments in the field
- Presents the most recent computational work by leading international groups in various areas of materials science research
Part of the book series: Springer Series in Materials Science (SSMATERIALS, volume 296)
Access this book
Tax calculation will be finalised at checkout
Other ways to access
Table of contents (14 chapters)
-
Front Matter
-
Development of Advanced Simulation Methods: The Predictive Power
-
Front Matter
-
-
Recent Advances in Molecular Dynamics and Monte Carlo Simulations of Transport Properties of Materials
-
Front Matter
-
-
Recent Progress in Electronic Transport and Device Simulation, Optical Properties
-
Front Matter
-
-
Surfaces, Interfaces in Low–Dimensional Systems
-
Front Matter
-
-
Back Matter
Keywords
- Computational Materials Science
- Nanoparticle and Nanostructured Materials
- Graphene and 2D Materials
- Properties of Chalcogels
- Elastic Properties of Materials
- Modelling Electrochemical Processes
- Diffusion in Liquid Alloys
- Band Structure Engineering in Half-Heuslers
- Interfaces in Low-Dimensional Systems
- Design of Biointerfaces
- Materials simulation
About this book
This book provides a unique and comprehensive overview of the latest advances, challenges and accomplishments in the rapidly growing field of theoretical and computational materials science. Today, an increasing number of industrial communities rely more and more on advanced atomic-scale methods to obtain reliable predictions of materials properties, complement qualitative experimental analyses and circumvent experimental difficulties. The book examines some of the latest and most advanced simulation techniques currently available, as well as up-to-date theoretical approaches adopted by a selected panel of twelve international research teams. It covers a wide range of novel and advanced materials, exploring their structural, elastic, optical, mass and electronic transport properties. The cutting-edge techniques presented appeal to physicists, applied mathematicians and engineers interested in advanced simulation methods in materials science. The book can also be used as additional literature for undergraduate and postgraduate students with majors in physics, chemistry, applied mathematics and engineering.
Editors and Affiliations
About the editors
Yannick J. Dappe received his PhD from Strasbourg University on the theory of nonlinear optics on metallic surfaces in 2002. He then worked in the field of density functional theory (DFT) methods in Prof. F. Flores’ group at the Autonomous University in Madrid (2004-2008), where he developed expertise in the theory of van der Waals interactions in graphene and carbon materials, and electronic properties of molecules on surfaces. Since 2008, he has been a CNRS Researcher, and is currently at the CEA Saclay’s Condensed Matter Physics Laboratory (SPEC). His main research interests include the theoretical study of graphene and 2D materials, and molecular electronics using DFT and Keldysh-Green methods.
Guido Ori is a CNRS Researcher at the Institute of Physics and Chemistry at Materials of Strasbourg. He holds a Ph.D. in experimental and computational approaches for the study of functionalized materials and works on first-principles molecular dynamics modelling applied to disordered materials and organic-inorganic interfaces. He developed his expertise in the study of ionic liquid - solid interfaces at the international CNRS-MIT joint laboratory ‘Multi-scale Materials Science for Energy and Environment’, located in Cambridge (USA) in the period 2012-2014. His current work focuses specifically on the study of complex interfaces and disordered materials for electronic applications and memory devices.
Bibliographic Information
Book Title: Theory and Simulation in Physics for Materials Applications
Book Subtitle: Cutting-Edge Techniques in Theoretical and Computational Materials Science
Editors: Elena V. Levchenko, Yannick J. Dappe, Guido Ori
Series Title: Springer Series in Materials Science
DOI: https://doi.org/10.1007/978-3-030-37790-8
Publisher: Springer Cham
eBook Packages: Chemistry and Materials Science, Chemistry and Material Science (R0)
Copyright Information: Springer Nature Switzerland AG 2020
Hardcover ISBN: 978-3-030-37789-2Published: 15 February 2020
Softcover ISBN: 978-3-030-37792-2Published: 15 February 2021
eBook ISBN: 978-3-030-37790-8Published: 14 February 2020
Series ISSN: 0933-033X
Series E-ISSN: 2196-2812
Edition Number: 1
Number of Pages: XVII, 286
Number of Illustrations: 29 b/w illustrations, 87 illustrations in colour
Topics: Optical and Electronic Materials, Theoretical, Mathematical and Computational Physics, Theoretical and Computational Chemistry, Condensed Matter Physics, Nanotechnology