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LEARNING MATTER

Active Learning and Neural Network Potentials Accelerate Molecular Screening of Ether-based Solvate Ionic Liquids

Submitted by wwj@mit.edu on Mon, 2020-06-22 22:51

W. Wang, Yang, T., Harris, W. Hunt, and Gómez-Bombarelli, R., “Active Learning and Neural Network Potentials Accelerate Molecular Screening of Ether-based Solvate Ionic Liquids”, Chemical Communications, 2020.
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