Welcome to Multiscale Molecular Simulation Group

Li-ion Batteries

Significant part of our research is currently funded by the DOE BATT program and Collaborative Reserach Alliance with Army Research Laboratory to conduct multiscale modeling of materials for application in Li-ion batteries.[read more]


Another one of our research focuses on modeling of novel nanostructured materials for electrochemical double layer capacitors (EDLC) or supercapacitors using room temperature ionic liquids (RTILs) as electrolyte. [read more]

Self-assembling membranes for energy applications

Polymer-based materials with nanoscale heterogenieties are considered as charge conducting membranes for various energy related applications, including lithium ion bateries, photovoltaic devices, and fuel cells.[read more]

Liquid Crystalline Systems

Our group is part of the Liquid Crystal MRSEC based at the University of Colorado. This project involves development and implementation of simulation models that, in tight collaboration with experimental investigations, provides a molecular level understanding of the important forces which are responsible for control of the self-assembly and ordering observed in liquid crystalline materials. [read more]