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

27 November 2019

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

6 / 6 papers shown

Title
Equivariant graph neural networks for fast electron density estimation of molecules, liquids, and solids Peter Bjørn Jørgensen Arghya Bhowmik 16 35 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 22 53 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 35 8 0 24 Nov 2020
DeepDFT: Neural Message Passing Network for Accurate Charge Density Prediction Peter Bjørn Jørgensen Arghya Bhowmik 22 20 0 04 Nov 2020
DeePKS: a comprehensive data-driven approach towards chemically accurate density functional theory Yixiao Chen Linfeng Zhang Han Wang E. Weinan 19 72 0 01 Aug 2020
Deep Learning in Protein Structural Modeling and Design Wenhao Gao S. Mahajan Jeremias Sulam Jeffrey J. Gray 29 159 0 16 Jul 2020