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20202024
most citedEquivariant analytical mapping of first principles Hamiltonians to accurate and transferable materials models

54 citations · 107 across the 3 of their papers we have counts for

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cond-mat.mtrl-sci2024★ 5 cited

Integrated workflows and interfaces for data-driven semi-empirical electronic structure calculations

Pavel Stishenko, Adam McSloy, Berk Onat +4

Modern software engineering of electronic structure codes has seen a paradigm shift from monolithic workflows towards object-based modularity. Software objectivity allows for great…