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A. Maeder

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Jun 2026

MALOQ: Massively Accelerated Learning of Operators for Quantum Transport

MALOQ (Massively Accelerated Learning of Operators for Quantum Transport) is introduced, an application built to train on and predict electronic-structure matrices for systems made of few to 100k atoms, described by large basis sets, and covering a wide range of atomic elements.

M. Kaniselvan, A. Maeder, Denghui Lu et al. · 0 citations