Award Data

The objective of Phase I is to identify the strengths and weaknesses of the various multi-reference coupled-cluster (MRCC) methods that have been proposed for the description of molecular states depending upon near degeneracies and non-dynamic electron correlation. Such effects are encountered in bond breaking, at transition states, for complex open shell systems like transition metal atoms, and f ...

Joint Space Operations Center under the United States Strategic Command employs a worldwide network of 29 sensors, known as the Space Surveillance Network (SSN), to track more than 17,000 man-made objects in Earth orbit with sizes 10 centimeters or larger. Decisive Analytics Corporation and the University of Texas Austin Center for Space Research propose an innovate framework for solving stochast ...

Single-reference coupled cluster (SRCC) methods have revolutionized our ability to accurately predict molecular energies and properties. As new developments in theory and computer science extend the application of SRCC methods to larger and larger systems, advancements in coupled cluster methods for studying multi-reference systems have lagged far behind. DECISIVE ANALYTICS Corporation has teame ...

The electron transferring unit of enzymes – apoenzyme and cofactor are deeply buried inside its protein structure, therefore efficient electronic communication between the electrode and the biocatalytic enzyme is inefficient. The development of a reproducible approach that allows efficient electronic connection between enzymes and electrodes would meet the major technical needs in the developmen ...

The ever-decreasing size of the electronic microchips and the ever-increasing density of electronic components required to support future Air Force platforms are creating the problem of substantial localized heat generation that can impair component operation. State of the art thermal interface materials (TIMs), that are used to dissipate heat from the source to the spreader in a microchip, are se ...

We propose to investigate the feasibility of obtaining fast and accurate trajectories using global geopotential models representing departures from the two-body plus J2 terms. The proposed geopotential formulations and numerical integration methods rely on multi-core processors and the emerging massive parallel capabilities of Graphics Processing Units (GPUs) available to common personal computer ...

Digital electronics is approaching its limits in meeting the demand for increased processing speeds. Photonics, while promising high processing speed, is lacking integration capacity. Plasmonics promises to combine the information capacity of photonics with the integration density of electronics. The team of Luna Innovations, UCLA and Virginia Tech proposes to develop plasmonic logic devices and c ...

A mathematical framework for detection and classification of weak, distributed patterns on computer networks is proposed. The framework will provide rigorous methods for understanding performance bounds and optimality of intrusion detection methods, while also providing concrete and implementable algorithms. The algorithms will find immediate application in cyber-security efforts, as well as mor ...

The goal of the proposed research is to develop advanced computational tool for high-fidelity simulations of hypersonic non-equilibrium plasmas. Octree adaptive Cartesian mesh will be used for automatic mesh generation and dynamic mesh adaptation to plasma properties, particularly important for hypersonic flows with strong shock waves, transient laminar and turbulent domains with large gradients o ...

Using its novel carbon nanosheet technology, Luna Innovations will develop a Supercapacitor with the highest energy densities available in the microsecond to millisecond response times. Nanosheets are vertically aligned graphene sheets that can be grown on a wide variety of substrates without catalyst and have an open, accessible surface area that eliminate the resistance due to pores that cause ...