Spin–orbit-coupled quantum transport with optimised Gaussian-type orbital basis sets: Application to molecular junctions and topological materials

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Comparison between Thomas Knoll’s algorithm and the N-convex algorithm, using an 8-colour irregular palette. Left to right: original image, Knoll, N-convex ().

Nature, Published online: 25 February 2026; doi:10.1038/d41586-026-00620-x

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