{"product_id":"computational-materials-science-june-gunn-lee-9781498749732","title":"Computational Materials Science: An Introduction, Second Edition","description":"\u003cp\u003eThis 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 ZrO\u003csub\u003e2\u003c\/sub\u003e-Y\u003csub\u003e2\u003c\/sub\u003eO\u003csub\u003e3\u003c\/sub\u003e, 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.\u003c\/p\u003e\u003cbr\u003e\u003cbr\u003e\u003cb\u003eAuthor:\u003c\/b\u003e June Gunn Lee\u003cbr\u003e\u003cb\u003eISBN-10:\u003c\/b\u003e 1498749739\u003cbr\u003e\u003cb\u003eISBN-13:\u003c\/b\u003e 9781498749732\u003cbr\u003e\u003cb\u003ePublisher:\u003c\/b\u003e CRC Press\u003cbr\u003e\u003cb\u003eLanguage:\u003c\/b\u003e English\u003cbr\u003e\u003cb\u003ePublished:\u003c\/b\u003e 12\/01\/2016\u003cbr\u003e\u003cb\u003ePages:\u003c\/b\u003e 376\u003cbr\u003e\u003cb\u003eFormat:\u003c\/b\u003e Hardcover\u003cbr\u003e\u003cb\u003eWeight:\u003c\/b\u003e 0.97lbs\u003cbr\u003e\u003cb\u003eSize:\u003c\/b\u003e 9.20h x 6.20w x 0.70d","brand":"June Gunn Lee","offers":[{"title":"Hardcover","offer_id":44124190310655,"sku":"9781498749732","price":160.0,"currency_code":"USD","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0662\/2982\/9887\/files\/img_18223b2e-db0a-4d8d-a2d7-fe4dea04de48.jpg?v=1687435276","url":"https:\/\/www.whiterainbookhouse.com\/products\/computational-materials-science-june-gunn-lee-9781498749732","provider":"WR Book House","version":"1.0","type":"link"}