QMHP - Numerical Optimization of Molecular and Nano-Scale Structures for Nonlinear-Optical Applications

Washington State University, Pullman WA

Investigators

Abstract

The objective of this research is to use general numerical simulation and quantum-mechanical modeling to guide the development of new paradigms for making materials with an ever-larger nonlinearoptical response that can apply to a broad range of technologies. The approach is to study how to optimize the response of individual molecules, determine how to combine molecules into particles to achieve optimized synergism, study arrangements of particles that yield a bulk material with enhanced properties, and generate ideas for optimizing material structures to make them most suitable for specific applications. Intellectual Merit: This research focuses on building a fundamental understanding of how to control light?s interaction with matter with the goal of defining guidelines for making improved materials for a broad range of applications. In addition to contributing to the fundamental Physics of nonlinear optics, the results will guide chemists in processing and synthesizing new materials; will provide novel paradigms for physicists/materials scientists for making complex structures; and will give engineers a broad pallet of systems that impact many applications. Broader Impact: This work will train undergraduate and graduate students to be the next generation of interdisciplinary researchers at the cutting edge of science and technology that could, by the breadth of potential applications, have a large positive impact on the economy. The theoretical techniques are general, and are appropriate to any applications that are based on light-matter interaction. Potential spinoff applications include medical imaging/diagnostics, novel cancer therapies, three-dimensional photolithography, high-density memories, ultra-fast internet switches, and new computer architectures.