📢 PhD Positions Available in our group - IIT Dharwad Department of Chemical Engineering

Research

Overview

Our research focuses on the engineering of nanomaterials, spanning fundamental studies on nanoparticle formation mechanisms, shape and size control, and colloidal/interfacial phenomena, along with their translation into functional applications. We work extensively on magnetic and metal-oxide nanoparticles, heterostructured catalysts, and polymer-stabilised nanocarriers, integrating experiments, modelling, and simulations. These insights drive the development of advanced systems for drug delivery, cancer therapy, catalysis, energy storage, environmental remediation, and adsorption processes. In parallel, we employ computational chemistry and molecular modelling to design drug molecules, predict molecular interactions, and investigate biomolecular interfaces. Overall, our work bridges materials synthesis, mechanistic understanding, and application-driven design.

Current Research Directions

1. Nanoparticle Formation Mechanisms, Morphology Control & Growth Models

Understanding how nanomaterials nucleate, grow, and evolve across different synthesis routes is central to our research. We primarily investigate bottom-up approaches such as thermal decomposition, coprecipitation, and solvent-less synthesis to gain mechanistic insights into nucleation pathways, metastable intermediates, prenucleation clusters, and shape evolution. Our work integrates experimental studies with reaction mechanism analysis, thermodynamic modeling, and Monte Carlo simulations to elucidate particle–particle interactions, aggregation dynamics, and the energy landscapes governing nanoparticle shape and size.

2. Nanomaterials for Drug Delivery, Cancer Therapy & Biological Interfaces

We develop polymer-coated, shape-controlled, and functionalized magnetic and metal-oxide nanoparticles for targeted therapy, enhanced cellular uptake, and improved intracellular delivery. Our computational–experimental workflows evaluate membrane deformation energies, receptor interactions, PEG-dependent stability, and drug-nanocarrier synergy.

3. Catalysis & Energy-Relevant Nanomaterials

This theme focuses on the design of heterostructured metals, Pd/Magnetite hybrids, metal oxide nanomaterials, and nano-hybrid composites for catalytic oxidation, hydrogen generation, and CO₂ capture and conversion. Includes hybrid nanomaterials for phase-change materials, thermally enhanced composites, and fluid-based energy systems. Our work includes morphology tuning, facet engineering, and structure–performance correlations, integrating experiments with modelling for improved functionality.

4. Colloids, Interfacial Science & Nanoparticle–Membrane Interactions

We explore aggregation physics, polymer-mediated stability, colloidal interactions, Monte-Carlo simulations, and membrane deformation due to nanoparticle engulfment. This thread provides fundamental insights into colloidal states relevant to drug delivery and dispersion stability.

5. Computational Chemistry & Molecular Modelling for Drug Discovery

We utilize molecular docking, dynamics simulations, QSAR principles, and in-silico screening for evaluating estrogen receptor inhibitors, tamoxifen/fulvestrant analogues, and receptor mimicry against viral proteins.

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