Hierarchical Models of Molecular Circuits and Devices for Energy-efficient Computing using Quantum-dot Cellular Automata
Abstract
Title: Hierarchical Models of Molecular Circuits and Devices for Energy-efficient Computing using Quantum-dot Cellular AutomataTransistor-based computing in the limits of transistor scaling already is wasteful in energy, but by 2030, information technology (IT) may consume 30-50% of global power output and contribute 23% of greenhouse gas emissions. Quantum-dot cellular automata (QCA) is a low-power, highspeed,high-device-density, non-transistor, general-purpose computing paradigm with a molecular implementation designed to significantly alleviate computationally-driven power demands. While the concept of computation using molecular QCA (mQCA) has been established, some challenges persist to realizing mQCA computers. First, the mQCA device states have not yet been observedin a new, charge-neutral class of zwitterionic mQCA candidates which promises simpler and more robust mQCA circuits. Furthermore, the design, synthesis, and imaging of an mQCA candidate can take months or even years. Additional challenges include the difficulty of laying out molecular logic, and of writing bits to or reading bits from nanoscale molecular devices. The ultimate goal ofthis proposal is to contribute to the realization of energy-efficient mQCA computers. Specifically, the objective and research problem is to accelerate the realization of zwitterionic mQCA and to provide solutions for bit write-in to the devices. The technical approach is to use computational models at multiple levelsfrom first principles to circuit-level modelsto design mQCA candidatesand provide in silico demonstrations of solutions for bit write-in. This will close a theoretical molecular design loop, accelerating progress in the field by allowing experimental efforts to focus on only the most promising molecules, with minimal power dissipation as a design objective.The investigating team has preliminary data and is well-prepared for this research, with a successful track record in the theory and modeling of quantum phenomena in mQCA. The team has access to computer resources for numerical modeling, including high-performance computing resources.The team has three specific aims: (1) Use ab initio calculations to characterize zwitterionic mQCA candidates; (2) Model and design synchronous mQCA circuits from electric-field inputs to logic; and (3) Develop models of power dissipation in mQCA devices and circuits.The outcome of this workmodels of specific mQCA candidates and in silico demonstrations of bit write-in for clocked mQCA logicwill provide solutions to clear roadblocks in the critical path to realizing mQCA computation. mQCA computers, in turn, will enable classical computing at a reduced power budget and clock speeds up to hundreds of times faster than present-daycommercial computers. This global impact translates to increased portability and battery lifetimes for mobile electronic devices, as well a reduced power demand in all general-purpose computing applications. This will enhance DoD capabilities by providing superior, next-generation computational capabilities, and by reducing IT-driven requirements for power generation, power consumption, and energy storage. Reduced power demands can reduce DoD operational costs and enhance the range, payload, habitability, and endurance of military vehicles and platforms of all types.
Document Details
- Document Type
- DoD Grant Award
- Publication Date
- Jun 17, 2020
- Source ID
- N000142012420
Entities
People
- Enrique P Blair
Organizations
- Baylor University
- Office of Naval Research
- United States Navy