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RESEARCH PAPER · Scientific Reports · 2026

Interpretable machine learning for thermoelectric materials design with Kolmogorov–Arnold networks

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Interpretable machine learning for thermoelectric materials design with Kolmogorov–Arnold networksOriginalBackward Mapping from Device Targets to Chemical Genomes for Interpretable Discovery of Phase-Stable Lead-Free Double Perovskites with DFT-Validated Design Rules0From molecular descriptors to data-driven design: Multiscale modelling and machine learning for shape memory polymers0

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  1. Backward Mapping from Device Targets to Chemical Genomes for Interpretable Discovery of Phase-Stable Lead-Free Double Perovskites with DFT-Validated Design Rules

    SSRN Electronic Journal · 2026-01-01

    Nafis Ahtasum, Sohanur Rahman Sohan, Md. Mostaq Ahmed Himel, Md. Zahid Hassan, Muhammad Harussani Moklis, Md Rafiul Alam Roni

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  2. From molecular descriptors to data-driven design: Multiscale modelling and machine learning for shape memory polymers

    Next Materials · 2026-08-10

    Peerawat Prathumrat, Manunya Okhawilai, Mostafa Nikzad, Elnaz Hajizadeh

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