Computational materials science :

Lee, June Gunn,

Computational materials science : An introduction / June Gunn Lee. - Second edition. - Boca Raton : CRC Press, Taylor & Francis Group ; 2018. - xxiii, 351 pages ; ill., 25 cm.

Includes bibliographical references and index.

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

9781498749732 (hardback : acidfree paper) 9781138582552


Materials
Materials
Molecular dynamics--Mathematical models.--Data processing.--Mathematics.

620.110 / LEE

Powered by Koha