TY  - BOOK
AU  - Lee,June Gunn
AU  - 
TI  - Computational materials science: An introduction 
SN  - 9781498749732  (hardback : acidfree paper)
U1  - 620.110 23
PY  - 2018///
CY  - Boca Raton
PB  - CRC Press, Taylor & Francis Group
KW  - Materials
KW  - Molecular dynamics
KW  - Mathematical models
KW  - Data processing
KW  - Mathematics
N1  - 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
ER  -