3.320 Atomistic Computer Modeling of Materials, Spring 2003
Citable URI:
http://hdl.handle.net/1721.1/35800
| Title: | 3.320 Atomistic Computer Modeling of Materials, Spring 2003 |
| Author: | Marzari, Nicola; Ceder, Gerbrand; Morgan, Dane |
| Issue Date: | 2003-06 |
| Abstract: | 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. Fluctuations and transport properties. Coarse-graining approaches and mesoscale models. |
| URI: | http://hdl.handle.net/1721.1/35800 |
| Other Identifiers: | 3.320-Spring2003 |
| Other Identifiers: | 3.320 IMSCP-MD5-431f75690159026fdd08d71eb2337fdb |
| Keywords: | atomistic computer simulations, Density-functional theory, total-energy pseudopotential method, Thermodynamic ensembles, Monte Carlo sampling, molecular dynamics simulations, Free energies, phase transitions, Coarse-graining approaches, mesoscale models, Computer simulation, 141801, Materials Engineering |
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| 3-320Spring-200 ... g2003/CourseHome/index.htm | 14.58Kb | text/html |
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Materials Science and Engineering (3) - Archived
Materials Science and Engineering (3)
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