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Theoretical and Computational Chemistry

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Jirui Jin

2 results in Authors: Jirui Jin

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

459

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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

251

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