top of page
  • Facebook
  • Twitter
  • LinkedIn

Molecular Simulations Laboratory

Welcome to the Molecular Simulations Laboratory, JNCASR, Bangalore, India.
We work in the broad domain of Computational Physical Chemistry/Computational Chemical Physics.
 

We are devoted to the study of materials, molecular liquids, gas adsorption in porous materials, machine learned potentials, self-assembly, supramolecular polymers and biomolecules. Towards these aims, we develop software, deploy large-scale academic freeware on High Performance Computing Platforms to accurately model substances as realistically as possible. 

Principal Investigator: Balasubramanian Sundaram, Professor

Research

The Molecular Simulations Laboratory is dedicated to advancing the understanding of molecular interactions through cutting-edge research. Our team of researchers is committed to pushing the boundaries of scientific knowledge and exploring new frontiers in molecular simulations. We strive to provide a conducive environment for innovative research, enabling our scientists to make significant contributions to the field of molecular simulations. Our goal is to foster a collaborative and inclusive research culture that inspires the next generation of scientific leaders.

News & Events

Latest Publications

Research Mechanisms and Data Analysis Techniques: Review

Explore our latest publication on the review of research mechanisms and data analysis techniques. Gain insights into the cutting-edge methodologies used in our research endeavors.

bottom of page