Materials Modelling Using Density Functional Theory
  • Release Date : 17 October 2021
  • Publisher : Oxford University Press (UK)
  • Genre : Science
  • Pages : 286 pages
  • ISBN 13 : 9780199662449
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Download or read book entitled Materials Modelling Using Density Functional Theory by author: Feliciano Giustino which was release on 17 October 2021 and published by Oxford University Press (UK) with total page 286 pages . This book available in PDF, EPUB and Kindle Format. This book is an introduction to the modern quantum theory of materials, and primarily addresses seniorundergraduate and first-year graduate students in the physical and chemical sciences, and in materials science and engineering. As advanced materials are becoming ubiquitous in every aspect of our life, the use of quantum mechanics to understand, predict, and design new materials is experiencing a fast-paced growth in academic and industrial research.Following this trend, atomistic materials modelling is becoming an important component of undergraduate science education, however there is still no book on this subject written primarily for anundergraduate readership. The book explains the fundamental ideas of density functional theory, and how this theory can be used as a powerful method for explaining and even predicting the properties of materials with stunning accuracy. This book can be used either as a complement to the quantum theory of materials, or as a primer in modern techniques of computational materials modelling using quantum mechanics.