Gustavo discusses his experience in the 2015 NCN URE program and his work to develop a thermoelectric simulation for the nanoHBU tool DFT Material Properties Simulator . Gustavo Javier now teaches high school physics in the Los Angeles area.

The DFT Material Properties Simulator can compute electronic band structures, density of states, bulk modulus, dielectric constants and other properties of the material. Furthermore, the user can select from various preset materials or create one of their own by specifying the atomic structure. The tool combines the simplicity of a teaching tool with the versatility of a research tool, resulting in a powerful simulation package.

Researchers should cite this work as follows:

• Gustavo Javier (2022), "URE Experience - DFT Thermoelectric Calculations," https://nanohub.org/resources/36033.

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1. density functional theory (DFT)
2. materials science
3. NCN URE
4. thermoelectricity/thermoelectrics
5. undergraduate research