NERSCPowering Scientific Discovery Since 1974

Analysis of Void Space of Porous Materials Used in Energy-related Applications


We have developed partial differential equations-based tools that perform analysis of porous materials. These tools involve the application of the Fast Marching Method (FMM) to predict if a molecule can traverse through a channel system representing void space of the materials, map accessible parts of these void spaces and calculate accessible volumes and surfaces. (More information)