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Dr Mohit Garg

Assistant Professor, Department of Chemical Engineering, BITS Pilani, Pilani Campus

Department of Chemical Engineering, Birla Institute of Technology & Science, Pilani- 333031, Rajasthan. India.

Research Interest


Research Interests:

  • Computational modeling of nanomaterials and biomaterials for energy and environmental applications
  • Coarse Grained Model development and application:
    Coarse-grained model development of cellulose and other biomaterials using multi-scale modeling framework to perform computer experiments at realistic length and time scales.
  • Studying cellulose for e-paper application: Applying Coarse Grained models to study morphology of paper based batteries.
  • Ion diffusion in Biological nanochannels:
    a) To study ionic conductivity in the nanocellulose membranes.
    b) Understanding polymer-drug interaction and its effects on drug diffusion.
  • Studying thermal conductivity and moisture uptake in cellulose nanomaterial based foams and aerogels using Grand Canonical Monte Carlo Simulations and Non-equilibrium molecular dynamics simulation.

 


Skills:

  • Molecular Dynamics Simulation, Matlab, C++, LAMMPS, GROMACS, Schrödinger, VMD, Avogardo, Packmol, Gaussian