Theory and computation can provide an understanding of materials’ behavior, while the development of validated prediction could guide fabrication and characterization. However, although atomic-level calculations advanced in the last decades, there are still challenges, primarily in the accurate prediction of properties when moving to nanoscale materials. In order to explain behavior and predict properties for candidate materials, research focuses on development and application of fundamental theoretical and computational methods in the “seams” of molecular-to-nanoscale materials modeling, ranging from first principles to classical and device modeling. To address specific Air Force requirements in optical response, detection and sensing, or in energy and power, a broad range of materials are explored. These range from molecular-to-nano/biomaterials, including nanostructures that exhibit unique behavior, such as nanoclusters, nanoparticles, nanotubes, nanoribbons and nanowires, or two-dimensional sheets; as well as hybrid organic/bio-inorganic nanomaterials, large molecular systems, or biomaterials. Applications encompass nanophotonics, nanoelectronics, metamaterials, nonlinear optics, energy and power, and multi-functionality. This research also addresses computational limitations by utilizing high-performance computing (HPC). Access is available to state-of-the-art HPC facilities, and to experimental facilities, if appropriate.

 

Keywords:

Detection and sensing; Energy/power; Directed-energy; Computational chemistry, physics, and materials science; Nonlinear optics; Nanophotonics; Nanoelectronics; Nanoparticles; Nanotubes; Nanowires; Metamaterials; Nano-biomaterials;

Citizenship:  Open to U.S. citizens

Level:  Open to Postdoctoral and Senior applicants