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Tutorial 3a: Materials Simulation by First-Principles Density Functional Theory I
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14 Sep 2010 | Online Presentations | Contributor(s): Umesh V. Waghmare
This lecture provides an introduction to first-principles density functional theory based methods for simulation of materials, with a focus on determination of interatomic force constants and …
19 May 2006 | Tools | Contributor(s): Hong-Hyun Park, Lang Zeng, Matthew Buresh, Siqi Wang, Gerhard Klimeck, Saumitra Raj Mehrotra, Clemens Heitzinger, Benjamin P Haley
Simulate 3D nanowire transport in the effective mass approximation with phonon scattering and 3D Poisson self-consistent solution
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