Modeling and simulation of programmatically controlled self-assembly at multiple scales

Abstract

The realization of programmable self-assembly of molecules that can be controlled intrinsic or externally to form functional structures has been described in this paper. The model intended to verify and describe programmable design of structures from atomistic up to macro scale by obtaining physically realistic description of the system. The goal of the research is to design and investigate a number of fitness criteria for controlling the self-assembly at multiple scales via computer simulation. The novelty of approach lies in the combination of algorithms and methods used in simulation model to describe programmable self-assembly of molecular building blocks.