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Theoretical and Computational Chemistry

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Jirui Jin

3 results in Authors: Jirui Jin

Theoretical and Computational Chemistry

Comparative Analysis of Conventional Machine Learning and Graph Neural Network Models for Perovskite Property Prediction

Jirui Jin, Somayeh Faraji, Bin Liu, Mingjie Liu

Version 1 posted 13 May 2024

460

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Theoretical and Computational Chemistry

Mapping Structure-Property Relationships in Fullerene Systems: A Computational Study from C20 to C60

Bin Liu, Jirui Jin, Mingjie Liu

Version 1 posted 13 March 2024

1,119

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Theoretical and Computational Chemistry

Extrapolating Beyond C60: Advancing Prediction of Fullerene Isomers with FullereneNet

Bin Liu, Jirui Jin, Mingjie Liu

Version 1 posted 02 July 2025

5

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