Computational materials science : An introduction / June Gunn Lee.
Material type: TextLanguage: English Publication details: Boca Raton : CRC Press, Taylor & Francis Group ; 2018.Edition: Second editionDescription: xxiii, 351 pages ; 25 cm. illISBN:- 9781498749732 (hardback : acidfree paper)
- 9781138582552
- 620.110 23 LEE
Item type | Current library | Collection | Call number | Status | Date due | Barcode |
---|---|---|---|---|---|---|
General Books | CUTN Central Library Medicine, Technology & Management | Non-fiction | 620.110 LEE (Browse shelf(Opens below)) | Available | 37501 |
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
Includes bibliographical references and index.
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