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Data types to include: formation energy, bandgaps, band offsets, work function, surface energy, defect formation energy, IV-curves, STEM images, electrical measurements, surface roughness, thermal...
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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: 1.00 | Views last month: 0 | Catalog Last Checked: September 02, 2026 at 07:19 PM