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Shruti Tiwari

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Aug 2026

Machine learning-assisted first-principles investigation of structural, electronic, and photovoltaic properties of perovskite materials

A unified multiscale system that entails the implementation of density functional theory (DFT), machine learning (ML), and device-level simulation to hasten the search and development of high-performance perovskite solar cell materials is presented.

Sameer Pandey, N. Shukla, Vishal K. Sharma et al. · 0 citations