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DeepDFT: Neural Message Passing Network for Accurate Charge Density Prediction

DeepDFT: Neural Message Passing Network for Accurate Charge Density Prediction

Peter Bjørn Jørgensen
Arghya Bhowmik
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Papers citing "DeepDFT: Neural Message Passing Network for Accurate Charge Density Prediction"

5 / 5 papers shown
Title
Deep Density: circumventing the Kohn-Sham equations via symmetry preserving neural networks
Deep Density: circumventing the Kohn-Sham equations via symmetry preserving neural networks
Leonardo Zepeda-Núnez
Yixiao Chen
Jiefu Zhang
Weile Jia
Linfeng Zhang
Lin Lin
38
33
0
27 Nov 2019
Machine learning for molecular simulation
Machine learning for molecular simulation
Frank Noé
A. Tkatchenko
K. Müller
C. Clementi
AI4CE
69
656
0
07 Nov 2019
Neural Message Passing for Quantum Chemistry
Neural Message Passing for Quantum Chemistry
Justin Gilmer
S. Schoenholz
Patrick F. Riley
Oriol Vinyals
George E. Dahl
411
7,430
0
04 Apr 2017
By-passing the Kohn-Sham equations with machine learning
By-passing the Kohn-Sham equations with machine learning
Felix Brockherde
Leslie Vogt
Li Li
M. Tuckerman
K. Burke
K. Müller
AI4CE
58
606
0
09 Sep 2016
Deep Residual Learning for Image Recognition
Deep Residual Learning for Image Recognition
Kaiming He
Xinming Zhang
Shaoqing Ren
Jian Sun
MedIm
1.7K
193,390
0
10 Dec 2015

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