Active maintenance of these web resources ceased in 2012 and they will not be updated. They are posted for archival purposes only. |
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DFT Exercises
 G. Csanyi and C. Pickard, CASTEP. Example problems exploring density functional calculations with solutions available
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Computational Methods - MCEN 3030
O. Vasilyev, University of Colorado. Homework assignments and computer projects
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From Nano to Macro: Introduction to Atomistic Modeling Techniques
M. Buehler, MIT OpenCourseWare. Graduate level lecture notes and assignments
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Instructional JAVA modules based on molecular simulation
etomica, University at Buffalo. Interactive JAVA tutorials including fracture, L-J MD (free for instructional use)
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Article: Teaching Computational Materials Science for Nanoscale Science and Engineering
S. Glotzer et al., Mat. Res. Soc. Symp. Proc. 2004.
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Materials strength: does size matter? nanoMATERIALS simulation toolkit tutorial
A. Strachan, Purdue University. Nanotechnology 501 Lecture Series, interactive MD simulations
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Statistics resources
causeweb.org. Undergraduate level interactive statistics tutorials
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Atomic-Scale Simulations - UIUC Course
D.D. Johnson and D. Ceperley. Advanced undergraduate or first-year graduate course
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Tools for multiple length and time scales
2001 Summer School on Computational Materials Science, U. of Illinois at Urbana-Champaign
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Hands-on introduction to Electronic Structure and Thermodynamics Calculations of Real Materials
2005 Summer School on Computational Materials Science, U. of Illinois at Urbana-Champaign
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Quantum Monte Carlo from Minerals and Materials to Molecules
2007 Summer School on Computational Materials Science, U. of Illinois at Urbana-Champaign
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Article: An Integrated Education Program on Computational Thermodynamics, Kinetics, and Materials Design
Z.-K. Liu et al., JOM-e. 2003
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Article: A Computational Materials Science Course for Undergraduate Majors
J.M. Rickman and R.P. Vinci, JOM-e. 2003
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Article: Current Status and Outlook of Computational Materials Science Education in the US
K. Thornton and M. Asta. 2005
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