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Machine learned approximations to Density Functional Theory Hamiltonians - Towards High-Throughput Screening of Electronic Structure and Transport in Materials
13 Dec 2016 | Online Presentations | Contributor(s): Ganesh Krishna Hegde
We present results from our recent work on direct machine learning of DFT Hamiltonians. We show that approximating DFT Hamiltonians accurately by direct learning is feasible and compare them to existing semi-empirical approaches to the problem. The technique we have proposed requires little...
NEMO5 Tutorial 4B: Device Modeling - Metals
18 Jul 2012 | Online Presentations | Contributor(s): Ganesh Krishna Hegde
Describes some of the modifications made to NEMO5 to include Nth nearest neighbor interactions so that metal electronic structure and transport can be studied. Also includes instructions on how to use NEMO5 input decks to obtain bulk metallic band structures.
NCN Student Meet Presentations
11 Feb 2010 | Presentation Materials | Contributor(s): Abhijeet Paul, Ganesh Krishna Hegde, Ankit Jain, Fengyuan (Thomas) Li, Shuaib Salamat, Xufeng Wang, Insoo Woo, Robert Wortman, Min Xu, Ya Zhou
These are the presentations given by the students during the first 2010 event for NCN at Purdue. Students showcased a wide genre of research they are doing under the NCN. All the talks have been uploaded here for easy access.