High-fidelity modeling of nanosystems: Novel methods and paradigms

Recent scientific and technological developments have stimulated basic, applied, and experimental research in nanoengineering, nanoscience, and nanotechnology advancing fundamental paradigms. Contemporary results in nonlinear quantum electromagnetics and mechanics, advances in modeling and simulation of complex nanosystems, biomimicking and prototyping, discovery of new phenomena and effects, as well as rapid engineering/technological advances in fabrication (molecular wires, carbon nanotubes, thin films, et cetera), provide enabling benefits and capabilities to devise and fabricate new nanostructures, nanodevices, and nanoelectromechanical systems (NEMS). Critical problems that remain to be addressed and solved are the fundamental research to model, simulate, and analyze NEMS. High-fidelity modeling, heterogeneous simulation and data-intensive analysis must be performed. Using the developed paradigms, we examine these problems for NEMS and report the promising solution of the Schrodinger equation using the optimality principle.