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Unformatted text preview: University of Virginia, Department of Materials Science and Engineering Fall 2011, Tuesday and Thursday, 8:00 - 9:15 pm, Thornton Hall A 119 MSE 4270/6270: Introduction to Atomistic Simulations Instructor : Leonid V. Zhigilei Office: Wilsdorf Hall 303D Office hours: open Telephone: (434) 243-3582 E-mail: email@example.com Web page: http://www.faculty.virginia.edu/CompMat/ Course web site: http://people.virginia.edu/~lz2n/mse627/ Abstract: The course introduces students to atomic-level computational methods commonly used in Materials Science, Physics, Chemistry, and Mechanical Engineering. The molecular dynamics and Monte Carlo methods are discussed in depth, from the introduction to the basic concepts to the overview of the current state-of-the-art. Some of the emerging methods for mesoscopic and multiscale modeling are also discussed in the context of real materials-related problems (mechanical and thermodynamic properties, phase transformations, microstructure evolution during processing). Success stories and limitations of contemporary computational methods are considered. The emphasis of the course is on getting practical experience in designing and performing computer simulations. Pre-written codes implementing atomistic computational methods will be provided. Students will use and modify the pre-written codes and write their own simulation and data analysis codes while working on their homework assignments and term projects. A set of example problems for term project will be provided, although students are encouraged to choose a project relevant to their thesis research. Recent research articles in the area of atomistic modeling will be discussed, with each student presenting one or two article. Students will learn to assess the quality and significance of published computational results. 4270/6270 split: The two groups will have joint lectures and largely overlapping homework, with some of the homework problems identified as optional (extra credit) for undergraduate students. The expectation for term projects performed by graduate students is that new non-trivial scientific results are obtained and discussed in the context of current published data. Term projects by undergraduate students may reproduce (with some innovative additions) results reported in literature. some innovative additions) results reported in literature....
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- Fall '11
- Materials Science And Engineering