• Interface Engineering Strategies to Suppress Polysulfide Shuttling in Lithium-Sulfur based Batteries 

  Das, Anoushka K. (CSIR-National Chemical Laboratory, Pune, 2025-12)
• Investigating Surface Reactivity in Heterogeneous Catalysis through DFT: Applications in Energy and Environmental Processes 

  Bhati, Meema (CSIR-National Chemical Laboratory, Pune, 2026-05)
• Tailoring C-O and C-H bond activation on various catalysts employing periodic density functional theory 

  Thakkar, Kavita Subhash (CSIR-National Chemical Laboratory, Pune, 2024-08)
• Contributing to Materials Research with Arti cial Intelligence: Machine Learning and Natural Language Processing in Focus 

  Agarwal, Sheena Mukesh (CSIR-National Chemical Laboratory, Pune, 2024-07)
• Accelerating the Design and Synthesis of Materials for Solid-State Hydrogen Storage using Machine Learning 

  Verma, Ashwini Dinanath (CSIR-National Chemical Laboratory, Pune, 2026-05)

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