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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
Published on: April 12, 2019
Shun Wang1, Shun-Li Shang2, Zi-Kui Liu2
1Department of Mathematics, Penn State University, University Park, PA 16802.
We introduce a zentropy-enhanced neural network (ZENN) for machine learning with heterogeneous data. ZENN improves generalization and robustness by learning energy and intrinsic entropy from diverse data sources.
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