Efficient Approximations of Complete Interatomic Potentials for Crystal Property Prediction

12 June 2023

Papers citing "Efficient Approximations of Complete Interatomic Potentials for Crystal Property Prediction"

6 / 6 papers shown

Title
Ewald-based Long-Range Message Passing for Molecular Graphs Arthur Kosmala Johannes Gasteiger Nicholas Gao Stephan Günnemann 64 14 0 08 Mar 2023
Periodic Graph Transformers for Crystal Material Property Prediction Keqiang Yan Yi Liu Yu-Ching Lin Shuiwang Ji AI4TS 57 58 0 23 Sep 2022
Scalable deeper graph neural networks for high-performance materials property prediction Sadman Sadeed Omee Steph-Yves M. Louis Nihang Fu Lai Wei Sourin Dey Rongzhi Dong Qinyang Li Jianjun Hu 60 49 0 25 Sep 2021
GraphDF: A Discrete Flow Model for Molecular Graph Generation Youzhi Luo Keqiang Yan Shuiwang Ji DRL 142 152 0 01 Feb 2021
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 175 860 0 08 Jan 2021
Junction Tree Variational Autoencoder for Molecular Graph Generation Wengong Jin Regina Barzilay Tommi Jaakkola 187 1,205 0 12 Feb 2018