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Record Nr. |
UNINA9910153184203321 |
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Autore |
Lee June Gunn |
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Titolo |
Computational materials science : an introduction / / June Gunn Lee |
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Pubbl/distr/stampa |
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Boca Raton : , : CRC Press, , [2017] |
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©2017 |
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ISBN |
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1-4987-4975-5 |
1-000-00523-2 |
1-315-36842-0 |
1-4987-4976-3 |
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Edizione |
[Second edition.] |
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Descrizione fisica |
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1 online resource (376 pages) : illustrations |
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Disciplina |
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Soggetti |
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Materials - Mathematical models |
Materials - Data processing |
Molecular dynamics - Mathematics |
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Lingua di pubblicazione |
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Formato |
Materiale a stampa |
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Livello bibliografico |
Monografia |
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Nota di bibliografia |
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Includes bibliographical references and index. |
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Nota di contenuto |
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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 -- chapter 9. DFT exercises with MedeA-VASP. |
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