Density Functional Theory Foundations and Applications in Material Science
Category: eBooks
- views: 69
- date: 11 July 2026
- posted by: BeMyLove
Density Functional Theory Foundations and Applications in Material Science | 42.76 MB
Title: Density Functional Theory Foundations and Applications in Material Science
Author: Roshan Thotagamuge
Category: Nonfiction, Science & Nature, Science, Chemistry, Physical & Theoretical, Physics, Mathematical Physics, Technology, Material Science
Language: English | 228 Pages | ISBN: 9789819597451
Description:
This book provides an accessible and comprehensive introduction to Density Functional Theory (DFT) and its applications in materials science, with a particular focus on undergraduate students and early-stage researchers. It introduces the fundamental principles of quantum mechanics that underpin DFT, followed by the theoretical development of the method and its practical implementation in computational materials science. The book covers key topics such as the Hohenberg–Kohn theorems, Kohn–Sham equations, exchange–correlation functionals, and practical approaches to performing DFT calculations using widely used computational tools. In addition to the theoretical framework, it highlights important applications of DFT in solid-state physics, surface science, nanomaterials, and material defects. Designed for students in physics, chemistry, materials science, and related disciplines, this book bridges the gap between theory and practice by explaining complex concepts in a clear and structured manner while providing guidance on applying DFT to solve real-world materials problems. It will also serve as a useful reference for researchers beginning their work in computational materials modeling and molecular simulations.
DOWNLOAD:
https://rapidgator.net/file/a78041f7581b8048a44a0cbfd22ae818/978-981-95-9745-1.rar
https://nitroflare.com/view/F218A6F6E7EFA25/978-981-95-9745-1.rar
This book provides an accessible and comprehensive introduction to Density Functional Theory (DFT) and its applications in materials science, with a particular focus on undergraduate students and early-stage researchers. It introduces the fundamental principles of quantum mechanics that underpin DFT, followed by the theoretical development of the method and its practical implementation in computational materials science. The book covers key topics such as the Hohenberg–Kohn theorems, Kohn–Sham equations, exchange–correlation functionals, and practical approaches to performing DFT calculations using widely used computational tools. In addition to the theoretical framework, it highlights important applications of DFT in solid-state physics, surface science, nanomaterials, and material defects. Designed for students in physics, chemistry, materials science, and related disciplines, this book bridges the gap between theory and practice by explaining complex concepts in a clear and structured manner while providing guidance on applying DFT to solve real-world materials problems. It will also serve as a useful reference for researchers beginning their work in computational materials modeling and molecular simulations.
DOWNLOAD:
https://rapidgator.net/file/a78041f7581b8048a44a0cbfd22ae818/978-981-95-9745-1.rar
https://nitroflare.com/view/F218A6F6E7EFA25/978-981-95-9745-1.rar
We need your support!
Make a donation to help us stay online
Bitcoin (BTC)
bc1q08g9d22cxkawsjlf8etuek2pc9n2a3hs4cdrld
Bitcoin Cash (BCH)
qqvwexzhvgauxq2apgc4j0ewvcak6hh6lsnzmvtkem
Ethereum (ETH)
0xb55513D2c91A6e3c497621644ec99e206CDaf239
Litecoin (LTC)
ltc1qt6g2trfv9tjs4qj68sqc4uf0ukvc9jpnsyt59u
USDT (ERC20)
0xb55513D2c91A6e3c497621644ec99e206CDaf239
USDT (TRC20)
TYdPNrz7v1P9riWBWZ317oBgJueheGjATm
Information |
|||
 |
Users of GUESTS are not allowed to comment this publication. | ||