3.320 Atomistic Computer Modeling of Materials
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.
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.
© Copyright 2015 Yasyf Mohamedali