3.320 Atomistic Computer Modeling of Materials


Class Info

Theory and application of atomistic computer simulations to model, understand, and predict the properties of real materials. Energy models: from classical potentials to first-principles approaches. Density-functional theory and the total-energy pseudopotential method. Errors and accuracy of quantitative predictions. Thermodynamic ensembles: Monte Carlo sampling and molecular dynamics simulations. Free energies and phase transitions. Fluctations and transport properties. Coarse-graining approaches and mesoscale models.

This class has 3.022, 3.20, and 3.23 as prerequisites.

3.320 will be offered this semester (Spring 2018). It is instructed by .

This class counts for a total of 12 credits. This is a graduate-level class.

You can find more information at the http://www.google.com/search?&q=MIT+%2B+3.320&btnG=Google+Search&inurl=https site or on the 3.320 Stellar site.

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