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Machine learning modeling of superconducting critical temperature

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Notes from Machine learning modeling of superconducting critical temperature

So far a really interesting paper. Published in 2018. Adding some informal notes and interesting findings here. Finding out how much literature is based on this study.

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Machine-Learning Prediction of Curie Temperature from Chemical Compositions of Ferromagnetic Materials

Room-temperature ferromagnets are high-value targets for discovery given the ease by which they could be embedded within magnetic devices. However, the multitude of potential interactions among magnetic ions and their surrounding environments renders the prediction of thermally stable magnetic properties challenging. Therefore, it is vital to explore methods that can effectively screen potential candidates to expedite the discovery of novel ferromagnetic materials within highly intricate feature spaces. To this end, the authors explore machine-learning (ML) methods as a means to predict the Curie temperature (Tc) of ferromagnetic materials by discerning patterns within materials databases. https://pubs.acs.org/doi/10.1021/acs.jcim.4c00947

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High-Tc superconductor state classification

Looking at the model predictions for the 200 K above Tc to get to room temperature, we see consistent and stable predictions for the non-superconducting state.

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Predicting superconducting transition temperature through advanced machine learning and innovative feature engineering

This study employs the SuperCon dataset as the largest superconducting materials dataset. Then, we perform various data pre-processing steps to derive the clean DataG dataset, containing 13,022 compounds. In another stage of the study, we apply the novel CatBoost algorithm to predict the transition temperatures of novel superconducting materials. In addition, we developed a package called Jabir, which generates 322 atomic descriptors. We also designed an innovative hybrid method called the Soraya package to select the most critical features from the feature space. These yield R2 and RMSE values (0.952 and 6.45 K, respectively) superior to those previously reported in the literature. Finally, as a novel contribution to the field, a web application was designed for predicting and determining the Tc values of superconducting materials.

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3DSC - a dataset of superconductors including crystal structures

Data-driven methods, in particular machine learning, can help to speed up the discovery of new materials by finding hidden patterns in existing data and using them to identify promising candidate materials. In the case of superconductors, the use of data science tools is to date slowed down by a lack of accessible data. In this work, we present a new and publicly available superconductivity dataset (‘3DSC’), featuring the critical temperature Tc of superconducting materials additionally to tested non-superconductors.

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