Atomistic Computer Modeling of Materials (SMA 5107)
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Free
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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. This course was also taught as part of the Singapore-MIT Alliance (SMA) programme as course number SMA 5107 (Atomistic Computer Modeling of Materials). AcknowledgementsSupport for this course has come from the National Science Foundation's Division of Materials Research (grant DMR-0304019) and from the Singapore-MIT Alliance. Categories:
Physical Sciences
Starts :
2005-02-01 |
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AlternativesIf you know any alternatives, please let us know. PrerequisitesIf you can suggest any prerequisite, please let us know. Certification Exams-- there are no exams to get certification after this course --If your company does certification for those who completed this course then register your company as certification vendor and add your exams to the Exams Directory. | ||
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