Computational materials science
An introduction
Lee, June Gunn
creator
creator
author.
text
bibliography
flu
Boca Raton
CRC Press, Taylor & Francis Group
2018
2017
Second edition.
monographic
eng
Eng
lis
h
xxiii, 351 pages ; 25 cm. ill.,
Chapter 1: Introduction Chapter 2: Molecular Dynamics Chapter 3: MD Exercises with XMD and LAMMPS Chapter 4: First-Principles Methods Chapter 5: Density Functional Theory Chapter 6: Treating Solids Chapter 7: DFT Exercises with quantum espresso Chapter 8: DFT exercises with VASP
June Gunn Lee.
Includes bibliographical references and index.
Materials
Materials
Molecular dynamics
Mathematical models
Data processing
Mathematics
620.110 LEE
9781498749732 (hardback : acidfree paper)
9781138582552
160607
20190823122253.0