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010   $a1-4987-4976-3
024 7 $a10.1201/9781315368429 
035   $a(CKB)3710000000960821
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100   $a20180706h20172017  uy             0
101 0 $aeng
135   $aurcnu||||||||
181   $2rdacontent
182   $2rdamedia
183   $2rdacarrier
200 10$aComputational materials science $ean introduction /$fJune Gunn Lee
205   $aSecond edition.
210  1$aBoca Raton :$cCRC Press,$d[2017]
210  4$dİ2017
215   $a1 online resource (376 pages) $cillustrations
311   $a1-4987-4973-9 
320   $aIncludes bibliographical references and index.
327   $achapter 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.
606   $aMaterials$xMathematical models
606   $aMaterials$xData processing
606   $aMolecular dynamics$xMathematics
615  0$aMaterials$xMathematical models.
615  0$aMaterials$xData processing.
615  0$aMolecular dynamics$xMathematics.
676   $a620.1/10113
700   $aLee$b June Gunn$01212863
801  0$bFlBoTFG
801  1$bFlBoTFG
906   $aBOOK
912   $a9910153184203321
996   $aComputational materials science$92800981
997   $aUNINA