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Published by CRC Press 2016-11-28, 2016
ISBN 10: 1498749739 ISBN 13: 9781498749732
Language: English
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Published by Taylor & Francis Group, 2016
ISBN 10: 1498749739 ISBN 13: 9781498749732
Language: English
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Published by Taylor & Francis Group, 2016
ISBN 10: 1498749739 ISBN 13: 9781498749732
Language: English
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Published by Taylor & Francis Inc, 2016
ISBN 10: 1498749739 ISBN 13: 9781498749732
Language: English
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Published by Taylor & Francis Group, 2016
ISBN 10: 1498749739 ISBN 13: 9781498749732
Language: English
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Published by Taylor & Francis Inc, 2016
ISBN 10: 1498749739 ISBN 13: 9781498749732
Language: English
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Buch. Condition: Neu. This item is printed on demand - it takes 3-4 days longer - Neuware -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 stress-strain behavior of Si-CNT composite, mean-squared displacement (MSD) of ZrO2-Y2O3, band structure and phonon spectra of silicon, and Mo-S battery system. It discusses methods once considered too expensive but that are now cost-effective. New examples also include various post-processed results using VESTA, VMD, VTST, and MedeA. 376 pp. Englisch.
Published by Taylor and Francis Inc, 2016
ISBN 10: 1498749739 ISBN 13: 9781498749732
Language: English
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Condition: New. Dieser Artikel ist ein Print on Demand Artikel und wird nach Ihrer Bestellung fuer Sie gedruckt. June Gunn Lee is an emeritus research fellow in the Computational Science Center at the Korea Institute of Science and Technology, where he has worked for 28 years. Currently, he is also lecturing at the University of Seoul. He has published about 70 pap.
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Buch. Condition: Neu. nach der Bestellung gedruckt Neuware - Printed after ordering - 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 stress-strain behavior of Si-CNT composite, mean-squared displacement (MSD) of ZrO2-Y2O3, band structure and phonon spectra of silicon, and Mo-S battery system. It discusses methods once considered too expensive but that are now cost-effective. New examples also include various post-processed results using VESTA, VMD, VTST, and MedeA.
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Buch. Condition: Neu. Computational Materials Science | An Introduction, Second Edition | June Gunn Lee | Buch | Einband - fest (Hardcover) | Englisch | 2016 | CRC Press | EAN 9781498749732 | Verantwortliche Person für die EU: Libri GmbH, Europaallee 1, 36244 Bad Hersfeld, gpsr[at]libri[dot]de | Anbieter: preigu Print on Demand.