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Author

Ming Hu

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Open access Sep 2026

Crystal Structure Prediction of Inorganic Materials: A Benchmark and Modern Evaluation

Crystal structure prediction (CSP) of inorganic materials is a fundamental challenge in computational materials science, yet the field has historically lacked well‐defined benchmarks and comprehensive evaluations. We address this gap by introducing CSP180, a standardized benchmark of 180 inorganic materials, and eval...

Lai Wei, Sadman Sadeed Omee, Rong-Zhi Dong et al. · 0 citations
Review Open access Aug 2026

A critical review on computational simulation and machine learning in phonon transport

For the last few decades, the study of heat transport properties of different materials has become prominent in a variety of applications ranging from thermoelectric energy conversion to thermal management of electronics. This critical review highlights the advancement of different computational techniques to investiga...

Md Zaibul Anam, Alejandro Rodriguez, Ming Hu · 0 citations

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