mlsanityData to 7 Oct 2026

Deep learning and the Schr"odinger equation

arXiv 1702.01361 ↗First posted 5 Feb 2017cond-mat.mtrl-sci cs.LG physics.chem-phcited by 5

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Abstract (arXiv)

We have trained a deep (convolutional) neural network to predict the ground-state energy of an electron in four classes of confining two-dimensional electrostatic potentials. On randomly generated potentials, for which there is no analytic form for either the potential or the ground-state energy, the neural network model was able to predict the ground-state energy to within chemical accuracy, with a median absolute error of 1.49 mHa. We also investigate the performance of the model in predicting other quantities such as the kinetic energy and the first excited-state energy of random potentials.

Key facts. Cited by 5 papers in the map (data through 7 Oct 2026). First posted on arXiv 5 Feb 2017.

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Citing papers per year: 2021: 2; 2022: 1; 2023: 0; 2024: 1; 2025: 1.

5 papers.