Atomistic modeling of materials - mit

General Literature (specific references will be offered per course topic)M.P. Allen and Tildesley, "Computer Simulation of Liquids", Oxford Science Publishers .(mainly MD)Excellent book on Molecular Dynamics Simulation. Explains well the relevantStatistical Mechanics. A must if you will be doing MD. Not much on solids.R. Phillips, "Crystals, Defects and Microstructures", Cambridge University Press.Modeling in Materials Science with emphasis on mechanical behavior. Excellent bookF. Jensen, " Introduction to Computational Chemistry", Wiley.Focus on methods in computational chemistry. Good introductory book if you want tofocus on chemistry applicationsJ.M. Thijsen, "Computational Physics", Cambridge University Press.Slightly more general book on quantum mechanical methods than Jensen.D. Frenkel and B. Smit, "Understanding Molecular Simulation", Academic Press.Fairly recent book. Very good background and theory on MD, MC and Stat Mech.Applications are mainly on molecular systems2/1/05 Massachusetts Institute of Technology 3.320 Atomistic Modeling of Materials G. Ceder and N Marzari