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
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CUTN Central Library Medicine, Technology & Management | Non-fiction | 620.110 LEE (Browse shelf(Opens below)) | Available | 37501 |
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| 620.11 GOT Physical foundations of materials science | 620.11 HIG Materials for Engineers And Technicians. | 620.11 KTO Functional materials : properties, performance and evaluation / | 620.110 LEE Computational materials science : | 620.11 POU Engineering materials : | 620.11 SAN New Polymeric Materials : 5th Annual UNESCO School and IUPAC Conference | 620.11 SAN Biotechnology Of Microorganisms : |
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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