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Computational materials science : An introduction / June Gunn Lee.

By: Material type: TextTextLanguage: 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
Subject(s): DDC classification:
  • 620.110 23 LEE
Contents:
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
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Item type Current library Collection Call number Status Date due Barcode
General Books 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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