MSE 498: Computational Materials Science and Engineering

By Andrew Ferguson

University of Illinois at Urbana-Champaign

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Courses

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Abstract

 

 

 

 

 

This new course will give students hands-on experience with popular computational materials science and engineering software through a series of projects in: electronic structure calculation (e.g., VASP), molecular simulation (e.g., GROMACS), phase diagram modeling (e.g., Thermo-Calc), finite element modeling (e.g., OOF2), and materials selection. The course will familiarize students with a broad survey of software tools in computational materials science, scientific computing, and prioritize the physical principles underlying the software to confer an understanding of their applicability and limitations.

Bio

Professor Andrew Ferguson received an M.Eng. with first class honors in Chemical Engineering from Imperial College London in 2005, and a Ph.D. in Chemical and Biological Engineering from Princeton University in 2010. His doctoral work focused on the application and development of techniques for the nonlinear embedding of biomolecular simulation trajectories to systematically identify the fundamental dynamical motions, folding pathways, and role of solvent interaction. In 2010 he assumed a post-doctoral research position at MIT as a Ragon Fellow, where he applied statistical mechanical tools to develop data-driven models of HIV viral fitness landscapes. Andrew joined the faculty of the University of Illinois at Urbana-Champaign as Assistant Professor of Materials Science and Engineering in 2012.

Cite this work

Researchers should cite this work as follows:

  • Andrew Ferguson (2015), "MSE 498: Computational Materials Science and Engineering," http://nanohub.org/resources/22124.

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Submitter

NanoBio Node, Aly Taha

University of Illinois at Urbana-Champaign

Tags

Lecture Number/Topic Online Lecture Video Lecture Notes Supplemental Material Suggested Exercises
MSE 498 Lesson 1: CMSE YouTube
MSE 498 Lesson 2: bash YouTube
MSE 498 Lesson 3: bash YouTube
MSE 498 Lesson 4: bash and MATLAB YouTube
MSE 498 Lesson 5: MATLAB YouTube
MSE 498 Lesson 6: DFT YouTube
MSE 498 Lesson 7: DFT YouTube
MSE 498 Lesson 8: DFT YouTube
MSE 498 Lesson 9: DFT YouTube
MSE 498 Lesson 10: MD YouTube
MSE 498 Lesson 11: MD YouTube
MSE 498 Lesson 12: MD YouTube
MSE 498 Lesson 13: MD YouTube
MSE 498 Lesson 14: MD YouTube
MSE 498 Lesson 15: MD YouTube
MSE 498 Lesson 16: FEM YouTube
MSE 498 Lesson 17: FEM YouTube
MSE 498 Lesson 18: CALPHAD YouTube
MSE 498 Lesson 19: CALPHAD YouTube