| 000 | 01328cam a2200325 i 4500 | ||
|---|---|---|---|
| 999 |
_c30092 _d30092 |
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| 003 | CUTN | ||
| 005 | 20190823122253.0 | ||
| 008 | 160607s2017 flu b 001 0 eng | ||
| 020 | _a9781498749732 (hardback : acidfree paper) | ||
| 020 | _a9781138582552 | ||
| 041 | _aEnglish | ||
| 082 | 0 | 0 |
_a620.110 _223 _bLEE |
| 100 | 1 | _aLee, June Gunn, | |
| 245 | 1 | 0 |
_aComputational materials science : _bAn introduction / _cJune Gunn Lee. |
| 250 | _aSecond edition. | ||
| 260 |
_aBoca Raton : _bCRC Press, Taylor & Francis Group ; _c2018. |
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| 300 |
_axxiii, 351 pages ; _c25 cm. _bill., |
||
| 505 |
_tChapter 1: Introduction _tChapter 2: Molecular Dynamics _tChapter 3: MD Exercises with XMD and LAMMPS _tChapter 4: First-Principles Methods _tChapter 5: Density Functional Theory _tChapter 6: Treating Solids _tChapter 7: DFT Exercises with quantum espresso _tChapter 8: DFT exercises with VASP |
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| 650 | 0 | _aMaterials | |
| 650 | 0 | _aMaterials | |
| 650 | 0 | _aMolecular dynamics | |
| 942 |
_2ddc _cBOOKS |
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| 100 | 1 | _eauthor. | |
| 504 | _aIncludes bibliographical references and index. | ||
| 650 | 0 | _xMathematical models. | |
| 650 | 0 | _xData processing. | |
| 650 | 0 | _xMathematics. | |
| 906 |
_a7 _bcbc _corignew _d1 _eecip _f20 _gy-gencatlg |
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