00515nam a22001217a 4500020002300000082002000023100002100043245005500064260003900119300003500158500003400193650016600227  a9781498749732 (hb)  a620.110113bGUN  a Lee, June Gunn   aComputational materials scienceb: an introduction  aBoca RatonbTaylor & Francisc2017  axvii, 351 p.b: ill.c; 24 cm.  aIncludes reference and index.  aMathematics aComputational  materials science vMaterials sciencevMolecular dynamicsvDensity functional vTreating solids vMD exercisesvDFT exercisesvRICAS