0000-0001-9015-5441 Employment
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Education
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Indian Institute of Technology Kharagpur Doctor of Philosophy (Computational Chemistry)2020 - 2026
Projects & Funding
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Publications (11)
- From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Save
- Chemical space exploration and molecular design of organic donor–acceptor TADF emitters Save
- Data-driven exploration of synthesizable strained hydrocarbons as high-energy-density candidates for sustainable aviation fuels Save
- Exploring the Chemical Space of Noncovalent Molecular Clusters Using Automated Cluster Building Algorithm and Neural Network Potential Save
- Computational Exploration of Small Hydrocarbon Networks: A Stochastic Generation and DFT Refinement Framework Save
- Hydrogen Bond‐Assisted Excited State Switching and Fluoride Responsive Behavior of Orthogonal Spiroborate Ester Derived from Naturally Occurring α‐Mangostin Save
- Exploring the Conformational Space of a Sulfonyl-Based Ionic Liquid on Platinum-Based Mono and Bimetallic Surfaces Save
- Computational Investigation of Meso‐Substituted, Heavy Atom‐Free BODIPY Derivatives as Photosensitizers: Insights From TDDFT and Dynamics Studies Save
- Selective synthesis of the missing tiara-like Ni10, Ni5 and Ni6 thiolates by the C–S bond cleavage of bis(thioether) molecules with a DFT study Save
- Structure and Bonding Patterns in C5H4 Isomers: Pyramidane, Planar Tetracoordinate Carbon, and Spiro Molecules Save