Orbital Graph Convolutional Neural Network for Material Property
Prediction

Orbital Graph Convolutional Neural Network for Material Property Prediction

14 August 2020

Rishikesh Magar

Samira Siahrostami

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Papers citing "Orbital Graph Convolutional Neural Network for Material Property Prediction"

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Title
SA-GAT-SR: Self-Adaptable Graph Attention Networks with Symbolic Regression for high-fidelity material property prediction Junchi Liu Ying Tang Sergei Tretiak Wenhui Duan Liujiang Zhou 192 0 0 01 May 2025
Topological, or Non-topological? A Deep Learning Based Prediction Ashiqur Rasul M. S. Hossain Ankan Ghosh Dastider Himaddri Roy M. Hasan Q. D. Khosru AI4CE 19 0 0 29 Oct 2023
GPT-MolBERTa: GPT Molecular Features Language Model for molecular property prediction Suryanarayanan Balaji Rishikesh Magar Yayati Jadhav and Amir Barati Farimani 147 15 0 20 Sep 2023
Capturing long-range interaction with reciprocal space neural network Hongyu Yu Liangliang Hong Shiyou Chen X. Gong Hongjun Xiang 55 12 0 30 Nov 2022
Synthetic data enable experiments in atomistic machine learning John L A Gardner Z. Beaulieu Volker L. Deringer 70 9 0 29 Nov 2022
Graph Neural Networks for Molecules Yuyang Wang Zijie Li A. Farimani GNN AI4CE 156 28 0 12 Sep 2022
TransPolymer: a Transformer-based language model for polymer property predictions Changwen Xu Yuyang Wang A. Farimani 123 93 0 03 Sep 2022
Graph neural networks for materials science and chemistry Patrick Reiser Marlen Neubert André Eberhard Luca Torresi Chen Zhou ... Houssam Metni Clint van Hoesel Henrik Schopmans T. Sommer Pascal Friederich GNN AI4CE 125 422 0 05 Aug 2022
Crystal Twins: Self-supervised Learning for Crystalline Material Property Prediction Rishikesh Magar Yuyang Wang Amir Barati Farimani 81 63 0 04 May 2022
Attention-wise masked graph contrastive learning for predicting molecular property Hui Liu Yibiao Huang Xuejun Liu L. Deng 66 34 0 02 May 2022
Graph Neural Networks Accelerated Molecular Dynamics Zijie Li Kazem Meidani Prakarsh Yadav A. Farimani GNN AI4CE 72 60 0 06 Dec 2021
Deep Reinforcement Learning Optimizes Graphene Nanopores for Efficient Desalination Yuyang Wang Zhonglin Cao Amir Barati Farimani AI4CE 96 61 0 19 Jan 2021
Machine-learning enhanced dark soliton detection in Bose-Einstein condensates Shangjie Guo A. R. Fritsch Craig S. Greenberg I. Spielman Justyna P. Zwolak 41 18 0 14 Jan 2021
An Introduction to Electrocatalyst Design using Machine Learning for Renewable Energy Storage C. L. Zitnick L. Chanussot Abhishek Das Siddharth Goyal Javier Heras-Domingo ... Kevin Tran Brandon M. Wood Junwoong Yoon Devi Parikh Zachary W. Ulissi 73 75 0 14 Oct 2020
A Tailored Convolutional Neural Network for Nonlinear Manifold Learning of Computational Physics Data using Unstructured Spatial Discretizations John Tencer Kevin Potter AI4CE 61 13 0 11 Jun 2020