Comparative Analysis of Machine Learning Approaches on the Prediction of the Electronic Properties of Perovskite: A Case Study of the ABX3 and A2BB’X6
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Jan 11, 2022 - Python
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formation-energy
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This software package implements the pytorch adaption of GATGNN-Voltage for the problem voltage prediction.
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Feb 21, 2023 - Python
Automatically generate the formation energy diagram for multiple defects. Designed for VASP output.
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Nov 3, 2022 - Python
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