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Group


Principal investigator
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Prabal K. Maiti

Principal investigator

One of my major research goal is to pursue theoretical and numerical modeling connecting molecular and macroscopic length scales to improve basic understanding of soft-matter and biological systems, both from a fundamental and an applied point of view. These aims imply development of appropriate molecular models and efficient computational techniques, incorporating accurate force fields for intra- and intermolecular interactions.

  • maiti@iisc.ac.in
  • prabalmaiti@gmail.com

Current Ph.D.
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Supriyo Naskar

Ph.D.

I employ multiscale molecular simulation techniques and theory from equilibrium and non-equilibrium statistical mechanics to study intriguing physical, biological and chemical processes. My research is broadly devoted to measure statistical properties of matter and elucidate governing thermodynamics of biophysical phenomena at the nanoscale.

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Abhishek Aggarwal

Int. Ph.D.

I study the charge transport properties of nucleic acids using multiscale modeling computational techniques involving all-atomistic MD simulations, ab-initio DFT calculations, NEGF calculations, and Machine Learning techniques. I explore the exciting world of single-molecular electronics on my computer!

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Jayeeta Chattopadhyay

Ph.D.

I study liquid-crystalline properties of rod-like particles through computer simulation using Molecular Dynamics, Brownian Dynamics and Kinetic Monte Carlo techniques. My research focuses on both equilibrium and non-equilibrium properties of shape-anisotropic particles.

  • jayeetac@iisc.ac.in
  • meghbalikajayeeta@gmail.com
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Tarun Maity

Ph.D.

In the era of ever growing sustainable energy demand, I would like to build and study the physical properties of super-capacitor, for which I use Molecular Dynamics

  • tarunmaity@iisc.ac.in
  • tarunrkmrc95@gmail.com
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Jeet Majumdar

Int. Ph.D.

Jack of some trades and master in Physics. This website was developed by me and therefore all suggestions regarding this site are welcome in my inbox. Apart from such hobbies, I mostly spend time on investigating the behaviour of nano-confined liquids.

  • jeetmajumdar@iisc.ac.in
  • mail2majumdar@gmail.com
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Subhadeep Dasgupta

Ph.D.

Currently, I am studying the dynamical properties of nanoconfined fluids and gas adsorption properties of polymers. To simulate these interesting systems, I rely on Molecular Dynamics and Monte-Carlo techniques alongside Density Functional Theory and Machine Learning.

  • subhadeepd@iisc.ac.in
  • mastersubhadeep@gmail.com
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Khadka Bahadur Chhetri

Ph.D.

DNA/RNA/PNA based Computation. Biophysics, Soft Matter, DNA based Nanotechnology. Faculty: Department of Physics, Prithvinarayan Campus, Tribhuvan University, Nepal

  • khadkac@iisc.ac.in
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Nayana

Int. Ph.D.

I am interested in studying the scalar models of active matter and study phase separation in such systems using Molecular Dynamics simulation.

  • nayanav@iisc.ac.in
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Soham Mandal

Int. Ph.D.

  • sohammandal@iisc.ac.in
  • sohammandal97@gmail.com
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Sandip Mandal

Ph.D.

Statistical Mechanics, Soft Matter, Molecular Dynamics

  • sandipmandal@iisc.ac.in
  • sandipmandal.ph@gmail.com
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Jaydeep Mandal

Ph.D.

Soft matter physics

  • jaydeepm@iisc.ac.in
  • jaydeepmandal.211@gmail.com
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Bharat Singh

Ph.D.

  • bharats@iisc.ac.in
  • shekhawatbharat9199@gmail.com

Current Postdoc. and R.A.
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Nikhil Maroli

IoE Postdoctoral Fellow

Molecular dynamics simulation of biomolecules, especially nanotubes, membrane protein channels.

  • scinikhil@gmail.com
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Subhadip Basu

Post. Doc.

Research interest: Study of protein-material interaction and biological membranes using molecular dynamics simulation technique.

  • subhadipbasu4@gmail.com

Masters & U.G.
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Arun kumar S

BS(Research)

  • arunks@iisc.ac.in
  • krishna617587@gmail.com
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Dharanish Rajendra

MS (Research)

I study the properties of biological systems like the surface proteins of HIV and also the liquid crystalline properties of rod like particles under various constraints.

  • dharanishr@iisc.ac.in
  • dharanish1132000@gmail.com