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Deep Learning and the Schrödinger Equation (arxiv.org)
2 points by rcshubhadeep on Mar 19, 2019 | hide | past | pdf | discuss on HN

In plain words: A neural network reads a picture of a two-dimensional electric trap and predicts the lowest energy of an electron held inside it. On random traps with no known formula, its typical error was 1.49 mHa, small enough to count as accurate for chemistry.

Abstract · Deep learning and the Schrödinger equation

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.

Kyle Mills, Michael Spanner, Isaac Tamblyn
arXiv:1702.01361 · cond-mat.mtrl-sci, cs.LG, physics.chem-ph · submitted Feb 5, 2017 · updated Nov 3, 2017
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Also discussed: Feb 2017 (3 points, 0 comments)