Rontu Das

Employment

• Institute of Chemical Technology Senior Research Fellow
  2024 - Present
• Institute of Chemical Technology Junior Research Fellow
  2021 - 2024

Education

• Institute of Chemical Technology Ph.D.
  2021 - 2026

Projects & Funding

Projects & funding information is unavailable.

Publications (12)

• Bridging Atomistic Simulations and Reservoir Computing for Predicting Structural and Transport Properties of Thiol–Ene Click-Cross-Linked Carboxymethyl Cellulose Hydrogels
  The Journal of Physical Chemistry B 2026 DOI: 10.1021/acs.jpcb.5c08098
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• Molecular dynamics simulation of thiol-ene ‘click’ copolymerized and blended carboxymethyl cellulose and 4-arm polyethylene glycol hydrogel used as ciprofloxacin drug carrier
  Chemical Engineering Science 2026 DOI: 10.1016/j.ces.2026.123356
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• Unveiling Molecular Interactions in Chocolate by Molecular Dynamics: A Study on Caffeine, Fatty Acids, and Sugars
  Journal of Chemical & Engineering Data 2025 DOI: 10.1021/acs.jced.4c00665
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• Enlightenment the dynamic behavior of norbornene–modified ’click’ 4–arm polyethylene glycol hydrogel: Delving into framework properties and transport properties through molecular dynamics simulations
  Computational Materials Science 2025 DOI: 10.1016/j.commatsci.2024.113516
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• Adsorption of methylene blue dye in the thiol-norbornene crosslinked polyvinyl alcohol hydrogel surface: a molecular dynamics study
  Environmental Science and Pollution Research 2025 DOI: 10.1007/s11356-025-36309-3
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• Optimizing Solvent Systems for Effective Lutein Solvation: A Molecular Dynamics Approach Using 2-Methyl Tetrahydrofuran, Deep Eutectic Solvent, Microemulsion, and Hexane
  Macromolecular Theory and Simulations 2025 DOI: 10.1002/mats.202500016
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• Structure and dynamics of anacardic acid in hexane, ethanol, and carbon tetrachloride: a molecular dynamics investigation
  Journal of Molecular Modeling 2025 DOI: 10.1007/s00894-025-06320-z
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• Understanding the Supramolecular Chemistry of Lutein with Gelatin, Octenyl Succinic Anhydride-Modified Starch Polymers in Simulated Gastro-Intestinal Buffers: A Molecular Dynamics Study
  Macromolecular Chemistry and Physics 2025 DOI: 10.1002/macp.202400295
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• Lithium ion transportation in lignin infused polyvinyl alcohol based eutectogel: A molecular dynamics framework
  Journal of Energy Storage 2024 DOI: 10.1016/j.est.2024.114060
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• Solvent optimization for caffeine and tannic acid extraction from Guarana seed: Insights from molecular dynamics simulations
  Journal of Molecular Liquids 2024 DOI: 10.1016/j.molliq.2024.126462
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