LAUSR

Rapid Geometric Screening of Low-Energy Surfaces in Crystals

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1 Published in 2022 at "Symmetry"

DOI: 10.3390/sym14102067

Abstract: A high-throughput approach to determine the equilibrium shape of a crystal by brute force is impractical due to the vast number of density functional theory (DFT) calculations required along just a single crystallographic direction. We… read more here.

Keywords: low energy; surface energy; energy; rapid geometric ... See more keywords