Following the Mumbai terror attacks, of November 26, 2008, CSTEP initiated a project on emergency and disaster management in coordination with CAIR (Centre for Artificial Intelligence and Robotics).
The aim is to study how the bandgap can be varied with different functional groups added to the polymer.
We use molecular simulation to study the electric double-layer (EDLC) to understand this behaviour.
CSTEP undertook a project to develop a platform that would help model the scale and impact of disasters and provide analysis, tools and exercises to handle it.
In the current study, using first-principles simulations, we present a case for a novel composition: Na10GeP2S12 (NGPS), for application in room-temperature Na-S batteries.
Molecular dynamics simulations were performed to understand the ionic association and its effect on the structure and dynamics of ion solvation shell in aqueous and non-aqueous electrolyte solutions (water and methanol).
CSTEP’s storage programme has two verticals: 1) techno-economic analysis of various storage systems along with policy aspects, and 2) research and development (R&D) of novel electrode and electrolyte materials for state-of-the-art and emerging battery systems using computer simulation techniques.
Emergency and disaster management has become a widely researched area in the last decade.
We have performed molecular dynamics (MD) simulations to explore the structure and dynamics of the ionic solvation shells of alkali ions and halide ions in aqueous solution.
With the increase in simulation of urban environments for the purpose of planning, modelling vehicular traffic has become important.
CSTEP is working with the Government of Karnataka and other state governments to develop a more holistic approach whilst developing RE plans for the near future.
Food supply chains are vital for the societal welfare in India.
Using first-principles simulations, we predict a high-performance solid electrolyte with composition Na10GeP2S12 for use in sodium–sulfur (Na–S) batteries.
A high concentration of lithium, corresponding to charge capacity of ∼4200 mAh/g, can be intercalated in silicon.
Emergency and disaster management involves four stages: Mitigation (Planning), Preparedness, Response and Relief.
First–principles DFT simulations are computationally demanding but are reasonably accurate in predicting properties of battery cathode materials.
