most citedEfficient Computational Design of 2D van der Waals Heterostructures: Band-Alignment, Lattice-Mismatch, Web-app Generation and Machine-learning

53 citations · 53 across the 1 of their papers we have counts for

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cond-mat.mtrl-sci2020★ 53 cited

Efficient Computational Design of 2D van der Waals Heterostructures: Band-Alignment, Lattice-Mismatch, Web-app Generation and Machine-learning

Kamal Choudhary, Kevin F Garrity, Steven T. Hartman +2

We develop a computational database, web-apps, and machine-learning (ML) models to accelerate the design and discovery of two-dimensional (2D)-heterostructures. Using density funct…