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Automated Chemical Space Exploration Using Machine-Learned Potential and Data-Driven Property Prediction

Automated Chemical Space Exploration Using Machine-Learned Potential and Data-Driven Property Prediction

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Author: Sandip Giri
Supervisors: Prof. Anoop Ayyappan and Prof. Ganesan Mani
Department of Chemistry
Indian Institute of Technology Kharagpur, India
March, 2026