Dhananjay

About

I am a research scholar at the Indian Institute of Technology Delhi, India. Before joining IIT-Delhi, I completed my master's at the Indian Institute of Technology Hyderabad (IIT-H). I am currently working in the computational chemistry domain, inclined towards molecular dynamics simulations and machine learning for soft condensed matter. At IIT-H, I worked on Li-O2 battery hybrid electrolyte using classical MD.

Employment

• Indian Institute of Technology Delhi Research scholar

Education

• Indian Institute of Technology Delhi PhD Scholar
  2022 - Present

Projects & Funding

Projects & funding information is unavailable.

Publications (7)

• Chemically resolved ethylene carbonate decomposition reveals the origins of carbonate-rich passivation on sodium metal
  Journal of Materials Chemistry A 2026 DOI: 10.1039/D6TA03796H
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• Stable Ambiphilic Bis(N-Heterocyclic Imino)-SubstitutedTerminal Olefin and Its Diazoolefin Derivative ExhibitsUnusual Dimerization
  Chemistry - A European Journal 2025
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• Dynamics of gold nanocluster on MgO surface with F-center defect and its implication for CO oxidation
  The Journal of Chemical Physics 2025 DOI: 10.1063/5.0287822
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• Dynamics of gold nanocluster on MgO surface with F-center defect
  2025 DOI: 10.26434/chemrxiv-2025-1bndt
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• Understanding Dynamics of Nanocluster–Organic Frameworks and Gas Diffusion from Machine Learning Potential-Based Simulations
  Nano Letters 2025 DOI: 10.1021/acs.nanolett.5c02218
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• Elucidating the Role of Atomically Dilute Copper Centers Impregnating a Phosphamide Polymer for the Preferential Hydrogen Evolution Reaction over CO2 Reduction
  Inorganic Chemistry 2024 DOI: 10.1021/acs.inorgchem.3c03364
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• Cage Dynamics-Mediated High Ionic Transport in Li-O2 Batteries with a Hybrid Aprotic Electrolyte: LiTFSI, Sulfolane, and N,N-Dimethylacetamide
  The Journal of Physical Chemistry B 2023 DOI: 10.1021/acs.jpcb.2c07829
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