{"product_id":"computational-materials-science-an-introduction-2nd-edition-june-gunn-lee-second-edition-crc-press-paperback-j-gunn","title":"Computational Materials Science: An Introduction, 2nd Edition | June Gunn Lee | Second Edition | CRC Press | Paperback | J. Gunn","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 FirstPrinciples 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 HybridFunctional Methods. It Offers 14 New Worked Examples In The Lammps, Quantum Espresso, Vasp And MedeaVasp Programs, Including Computation Of StressStrain Behavior Of SiCnt Composite, MeanSquared Displacement (Msd) Of Zro2Y2O3, Band Structure And Phonon Spectra Of Silicon, And MoS Battery System. It Discusses Methods Once Considered Too Expensive But That Are Now CostEffective. New Examples Also Include Various PostProcessed Results Using Vesta, Vmd, Vtst, And Medea.\u003c\/p\u003e","brand":"Dev Publishers \u0026 Distributors","offers":[{"title":"Default Title","offer_id":45917925081286,"sku":"DADAX1041293844","price":30.16,"currency_code":"USD","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0695\/9389\/1014\/files\/81oljLR8vOL.jpg?v=1780647651","url":"https:\/\/ergodemedia.com\/products\/computational-materials-science-an-introduction-2nd-edition-june-gunn-lee-second-edition-crc-press-paperback-j-gunn","provider":"Ergodemedia","version":"1.0","type":"link"}