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Computational Materials Science: An Introduction, Second Edition

June Gunn Lee




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 | #551907 in Books |  2016-12-01 | Original language:English |  9.20 x.70 x6.20l,.0 | File type: PDF | 375 pages

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This book covers the essentials of Computational Science and gives tools and techniques to solve materials science problems using molecular dynamics (MD) and first-principles methods. The new edition expands upon the density functional theory (DFT) and how the original DFT has advanced to a more accurate level by GGA+U and hybrid-functional methods. It offers 14 new worked examples in the LAMMPS, Quantum Espresso, VASP and MedeA-VASP programs, including computation of...

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