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All the data in this project are generated running Density Functional (DFT) simulation either on NIST computer clusters of through our collaborators at University of Florida. The final data...
Search relevance: 212.45 | Views last month: 0 | Catalog Last Checked: October 02, 2026 at 07:51 PM -
All the data in this project are generated running Density Functional (DFT) simulation either on NIST computer clusters of through our collaborators at University of Florida. The final data...
Search relevance: 207.17 | Views last month: 4 | Catalog Last Checked: September 10, 2026 at 05:51 PM -
InterMat: accelerating band offset prediction in semiconductor interfaces with DFT and deep learning
The Interface materials design (InterMat) package introduces a multi-scale and data-driven approach for material interface/heterostructure design. This package allows: -Generation of an atomistic...
Search relevance: 65.21 | Views last month: 0 | Catalog Last Checked: September 10, 2026 at 05:53 PM -
InterMat: accelerating band offset prediction in semiconductor interfaces with DFT and deep learning
The Interface materials design (InterMat) package introduces a multi-scale and data-driven approach for material interface/heterostructure design. This package allows: -Generation of an atomistic...
Search relevance: 64.85 | Views last month: 0 | Catalog Last Checked: October 02, 2026 at 07:54 PM
