Modeling, Simulation, Data Mining, & Visualization

The challenge in carrying out simulations and modeling of nanosystems is in incorporating the multiple scale lengths from molecular building blocks to macroscopic systems. Multi-scale modeling is a new direction of computational physics and chemistry in which different levels of theory are used to model different length scales. In this manner, the physical environment, as well as the nanostructure, are considered within the simulation. These simulations can describe phase transitions resulting from interactive effects in nanostructure building blocks. In this area, the CNSI is leveraging the work of UCLA and UCSB researchers through strong collaborations with Los Alamos and the Lawrence Livermore National Laboratories.