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Predicting Elastic Properties of Materials from Electronic Charge
  Density Using 3D Deep Convolutional Neural Networks
v1v2 (latest)

Predicting Elastic Properties of Materials from Electronic Charge Density Using 3D Deep Convolutional Neural Networks

Journal of Physical Chemistry C (JPCC), 2020
17 March 2020
Yong Zhao
Kunpeng Yuan
Yinqiao Liu
Steph-Yves M. Louis
Ming Hu
Jianjun Hu
ArXiv (abs)PDFHTML

Papers citing "Predicting Elastic Properties of Materials from Electronic Charge Density Using 3D Deep Convolutional Neural Networks"

7 / 7 papers shown
Symmetry-Constrained Multi-Scale Physics-Informed Neural Networks for Graphene Electronic Band Structure Prediction
Symmetry-Constrained Multi-Scale Physics-Informed Neural Networks for Graphene Electronic Band Structure Prediction
Wei Shan Lee
I Hang Kwok
Kam Ian Leong
Chi Kiu Althina Chau
Kei Chon Sio
AI4CE
135
0
0
14 Aug 2025
Confidence Adjusted Surprise Measure for Active Resourceful Trials (CA-SMART): A Data-driven Active Learning Framework for Accelerating Material Discovery under Resource Constraints
Confidence Adjusted Surprise Measure for Active Resourceful Trials (CA-SMART): A Data-driven Active Learning Framework for Accelerating Material Discovery under Resource Constraints
Ahmed Shoyeb Raihan
Zhichao Liu
T. Bhuiyan
I. Imtiaz Ahmed
205
0
0
27 Mar 2025
StrainTensorNet: Predicting crystal structure elastic properties using
  SE(3)-equivariant graph neural networks
StrainTensorNet: Predicting crystal structure elastic properties using SE(3)-equivariant graph neural networksPhysical Review Research (Phys. Rev. Res.), 2023
T. Pakornchote
A. Ektarawong
Thiparat Chotibut
170
6
0
22 Jun 2023
Materials Property Prediction with Uncertainty Quantification: A
  Benchmark Study
Materials Property Prediction with Uncertainty Quantification: A Benchmark StudyApplied Physics Reviews (APR), 2022
Daniel Varivoda
Rongzhi Dong
Sadman Sadeed Omee
Jianjun Hu
AI4CE
416
33
0
04 Nov 2022
Scalable deeper graph neural networks for high-performance materials
  property prediction
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
263
102
0
25 Sep 2021
MaterialsAtlas.org: A Materials Informatics Web App Platform for
  Materials Discovery and Survey of State-of-the-Art
MaterialsAtlas.org: A Materials Informatics Web App Platform for Materials Discovery and Survey of State-of-the-Artnpj Computational Materials (npj Comput Mater), 2021
Jianjun Hu
Stanislav Stefanov
Yuqi Song
Sadman Sadeed Omee
Steph-Yves M. Louis
Edirisuriya M Dilanga Siriwardane
Yong Zhao
308
44
0
09 Sep 2021
Materials Representation and Transfer Learning for Multi-Property
  Prediction
Materials Representation and Transfer Learning for Multi-Property PredictionApplied Physics Reviews (APR), 2021
Shufeng Kong
D. Guevarra
Daniel Schwalbe-Koda
J. Gregoire
AI4CE
317
58
0
04 Jun 2021
1
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