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 not be offered this semester. It will be available in the Fall semester, and will be instructed by R. Gomez-Bombarelli.

Lecture occurs 2:30 PM to 4:00 PM on Tuesdays and Thursdays in 4-261.

This class counts for a total of 12 credits.

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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