Principal investigator
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.
Current Ph.D.
Current Postdoc. and R.A.
Sachin MB Gautham
Research Associate
Research Interest: Ph.D. in Chemical Engineering, IIT Madras. Specializing in molecular simulations of polymer nanocomposites, focusing on microstructure–rheology correlations. Experienced in coarse-grained modeling, molecular dynamics, and data-driven approaches for advanced material systems. Currently exploring MOF-based polymeric materials for gas adsorption and enhanced separation applications.
- sachingthm7@gmail.com
- Website: https://sachingautham.github.io
Binu Varghese
Research Associate
Research Interest: I work on machine learning-assisted Metal-Organic Framework (MOF) discovery for gas separation. My research also focuses on phase transitions in astrochemical ices. I use molecular simulations to explore physical systems, with a particular interest in nanobubbles and water. Additionally, I enjoy Python programming and integrating computational techniques into my research.
Yogendra Kumar
Post Doc.
The primary emphasis of my research lies in the investigation of biological membranes, biopolymers, nanomaterials, drug-protein interaction, and polyelectrolytes. The present study involves the investigation of various structural and thermodynamic features via the use of molecular dynamics (MD) simulations, along with the implementation of advanced simulation methodologies to improve accuracy and efficiency.
- yogendrapatel.che@gmail.com
- kyogendra@iisc.ac.in
- Website: https://sites.google.com/view/dr-kumars-group/home
Masters & U.G.
