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Teaching Materials

• 10.0 Ranking Grossman: Computational Nanoscience, Lecture ...

  Computational Nanoscience, Lecture 4: Geometry Optimization and Seeing What You're Doing

  Type	Teaching Materials
  Contributor(s)	Jeffrey Grossman, Elif Ertekin
  Date	13 Feb. 2008
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  In this lecture, we discuss various methods for finding the ground state structure of a given system by minimizing its energy. Derivative and non-derivative methods are discussed, as well as the importance of the starting guess and how to find or generate good initial structures. We also briefly ...

• 9.1 Ranking Klimeck: Semiconductor Device Education ...

  Semiconductor Device Education Material

  Type	Teaching Materials
  Contributor(s)	Gerhard Klimeck
  Date	28 Jan. 2008
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  When we hear the words, semiconductor device, we may think first of the transistors in PCs or video game consoles, but transistors are the basic component in all of the electronic devices we use in our daily lives. Electronic systems are built from components such as transistors, capacitors, ...

• 0.0 Ranking Grossman: Computational Nanoscience, Lecture ...

  Computational Nanoscience, Lecture 15: In-Class Simulations: Hartree-Fock

  Type	Teaching Materials
  Contributor(s)	Jeffrey Grossman, Elif Ertekin
  Date	05 May. 2008
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  Using a range of examples, we study the effect of basis set on convergence, the Hartree-Fock accuracy compared to experiment, and explore a little bit of molecular chemistry.

• 0.0 Ranking Grossman: Computational Nanoscience, Lecture ...

  Computational Nanoscience, Lecture 18.5: A Little More, and Lots of Repetition, on Solids

  Type	Teaching Materials
  Contributor(s)	Jeffrey Grossman, Elif Ertekin
  Date	05 May. 2008
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  Here we go over again some of the basics that one needs to know and understand in order to carry out electronic structure, atomic-scale calculations of solids.