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The Role of Reference Points in Machine-Learned Atomistic Simulation Models

The Role of Reference Points in Machine-Learned Atomistic Simulation Models

Xiangyun Lei
Weike Ye
Joseph Montoya
Tim Mueller
Linda Hung
Jens Hummelshoej
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Papers citing "The Role of Reference Points in Machine-Learned Atomistic Simulation Models"

3 / 3 papers shown
Title
A Universal Framework for Featurization of Atomistic Systems
A Universal Framework for Featurization of Atomistic Systems
Xiangyun Lei
A. Medford
AI4CE
57
19
0
04 Feb 2021
E(3)-Equivariant Graph Neural Networks for Data-Efficient and Accurate Interatomic Potentials
E(3)-Equivariant Graph Neural Networks for Data-Efficient and Accurate Interatomic Potentials
Simon L. Batzner
Albert Musaelian
Lixin Sun
Mario Geiger
J. Mailoa
M. Kornbluth
N. Molinari
Tess E. Smidt
Boris Kozinsky
300
1,298
0
08 Jan 2021
Neural Message Passing for Quantum Chemistry
Neural Message Passing for Quantum Chemistry
Justin Gilmer
S. Schoenholz
Patrick F. Riley
Oriol Vinyals
George E. Dahl
593
7,455
0
04 Apr 2017

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