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Anatole von Lilienfeld

5 Pith papers cite this work. Polarity classification is still indexing.

5 Pith papers citing it

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2026 3 2025 2

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UNVERDICTED 5

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Enhancing molecular dynamics with equivariant machine-learned densities

physics.chem-ph · 2026-04-27 · unverdicted · novelty 6.0

DenSNet learns the Hohenberg-Kohn map to electron density with equivariant networks and delta-learning, then maps density to energy, producing stable MD trajectories whose infrared spectra match experiment and DFT on ethanol, ethanethiol, resorcinol, and polythiophene oligomers.

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