Deep Density: circumventing the Kohn-Sham equations via symmetry
preserving neural networks

Deep Density: circumventing the Kohn-Sham equations via symmetry preserving neural networks

27 November 2019

Leonardo Zepeda-Núnez

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Papers citing "Deep Density: circumventing the Kohn-Sham equations via symmetry preserving neural networks"

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Title
NeuralSCF: Neural network self-consistent fields for density functional theory Feitong Song Ji Feng 70 1 0 22 Jun 2024
DySLIM: Dynamics Stable Learning by Invariant Measure for Chaotic Systems Yair Schiff Zhong Yi Wan Jeffrey B. Parker Stephan Hoyer Volodymyr Kuleshov Fei Sha Leonardo Zepeda-Núñez 142 15 0 06 Feb 2024
Equivariant graph neural networks for fast electron density estimation of molecules, liquids, and solids Peter Bjørn Jørgensen Arghya Bhowmik 62 37 0 01 Dec 2021
Integrating Expert ODEs into Neural ODEs: Pharmacology and Disease Progression Zhaozhi Qian W. Zame L. Fleuren Paul Elbers M. Schaar OOD 73 56 0 05 Jun 2021
Wide-band butterfly network: stable and efficient inversion via multi-frequency neural networks Matthew T.C. Li L. Demanet Leonardo Zepeda-Núnez 84 9 0 24 Nov 2020
DeepDFT: Neural Message Passing Network for Accurate Charge Density Prediction Peter Bjørn Jørgensen Arghya Bhowmik 46 22 0 04 Nov 2020
Efficient Long-Range Convolutions for Point Clouds Yifan Peng Lin Lin Lexing Ying Leonardo Zepeda-Núnez 3DPC 42 8 0 11 Oct 2020
DeePKS: a comprehensive data-driven approach towards chemically accurate density functional theory Yixiao Chen Linfeng Zhang Han Wang E. Weinan 76 73 0 01 Aug 2020
Deep Learning in Protein Structural Modeling and Design Wenhao Gao S. Mahajan Jeremias Sulam Jeffrey J. Gray 89 161 0 16 Jul 2020
Integrating Scientific Knowledge with Machine Learning for Engineering and Environmental Systems J. Willard X. Jia Shaoming Xu M. Steinbach Vipin Kumar AI4CE 158 415 0 10 Mar 2020