most citedMachine Learning Electronic Structure Methods Based On The One-Electron Reduced Density Matrix

1 citations · 1 across the 2 of their papers we have counts for

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2 papers

cond-mat.mtrl-sci2024

Machine learning classification of local environments in molecular crystals

Daisuke Kuroshima, Michael Kilgour, Mark E. Tuckerman +1

Identifying local structural motifs and packing patterns of molecular solids is a challenging task for both simulation and experiment. We demonstrate two novel approaches to charac…

physics.chem-ph2023★ 1 cited

Machine Learning Electronic Structure Methods Based On The One-Electron Reduced Density Matrix

Xuecheng Shao, Lukas Paetow, Mark E. Tuckerman +1

The theorems of density functional theory (DFT) and reduced density matrix functional theory (RDMFT) establish a bijective map between the external potential of a many-body system…