High-Performance Computing for Theoretical Study of Nanoscale and Molecular Interconnects

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Abstract

Interconnects in semiconductor integrated circuits have shrunk to nanoscale sizes. This size reduction requires accurate analysis of the quantum effects. Furthermore, improved low-resistance interconnects need to be discovered that can integrate with biological and nanoelectronic systems. Accurate system-scale simulation of these quantum effects is possible with high-performance computing (HPC), while high cost and poor feasibility of experiments also suggest the application of simulation and HPC. This chapter introduces computational nanoelectronics, presenting real-world applications for the simulation and analysis of nanoscale and molecular interconnects, which may provide the connection between molecules and silicon-based devices. We survey computational nanoelectronics of interconnects and analyze four real-world case studies: 1) using graphical processing units (GPUs) for nanoelectronic simulations; 2) HPC simulations of current flow in nanotubes; 3) resistance analysis of molecular interconnects; and 4) electron transport improvement in graphene interconnects. In conclusion, HPC simulations are promising vehicles to advance interconnects and study their interactions with molecular/biological structures in support of traditional experimentation.