Nanostellar's Rational Design Methodology combines computational nano-science, advanced synthetic chemistry and characterization to design new catalyst materials with better performance and lower cost than those currently in use. It uses computing power to understand how reactions take place on the surface of the catalyst and how the material properties change in the operating environment. This reduces development costs by limiting time spent in the lab and also allows for better focused research efforts, shortening the catalyst development process.


Rational Design Methodology is a 3-legged approach that includes:

• Computational Modeling. Incorporating Density Function Theory (DFT), Molecular Dynamics (MD), Monte-Carlo Simulation (MC), Kinetic Monte-Carlo Simulation (KMC), Micro Kinetic Modeling (MKM), and Multi-scale materials simulations.


• Characterization. Including Physical and Functional characterization.


• Materials Synthesis. Including Colloidal, hybrid and traditional methods.