Stage - Atomistic Computer Modeling of Materials
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MIT 3.320 Atomistic Computer Modeling of Materials This course uses the theory and application of atomistic computer simulations to model, understand, and predict the properties of real materials. Specific topics include: 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 energy and phase transitions; fluctuations and transport properties; and coarse-graining approaches and mesoscale models. The course employs case studies from industrial applications of advanced materials to nanotechnology. Several laboratories will give students direct experience with simulations of classical force fields, electronic-structure approaches, molecular dynamics, and Monte Carlo. Source: MIT OpenCourseWare License: 
More information at: http://ocw.mit.edu/terms |
MIT & MIT OpenCourseWare The mission of MIT is to advance knowledge and educate students in science, technology and other areas of scholarship that will best serve the nation and the world in the 21st century - whether the focus is cancer, energy, economics or literature MIT OpenCourseWare (OCW) is a web-based publication of virtually all MIT course content. OCW is open and available to the world and is a permanent MIT activity. |
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