Tools for Modeling & Simulation of Molecular and Nanomaterials for Optically Responsive Devices
Agency / Branch:
DOD / USAF
The effective de novo prediction of linear and nonlinear optical properties of materials would be a great resource for developers of military and commercial optical devices. Of particular military interest are multiphoton processes that can be optimized for laser protection as well as for improving photovoltaic efficiencies above the Shockley-Queisser limit, for photodynamic therapy and for optical signal processing. EIC Laboratories and our collaborators at the Pennsylvania State University propose a program of first principles prediction of linear and nonlinear optical properties of molecules, clusters and nanomaterials. In Phase I, we will focus on developing accurate and efficient methods to simulate the two-photon absorption of molecular chromophores in solution. The theoretical models developed in Phase I will be validated against a high quality experimental data set. Phase II will entail further validation of the theory with molecules, nanoparticles and ensembles, and incorporation into an accessible and user friendly software package. BENEFIT: Of particular military interest are multiphoton processes that can be optimized for laser protection as well as for for optical signal processing. The software tools would have applications to materials design for a variety of commercial products, including 1) theoretical modeling software packages useful for designing optical materials, and 2) actual optical limiting materials and devices for protection of electronic sensors and the human eye from damage by intense laser radiation, for medical applications (PDT, optical imaging, etc), for photovoltaics (infrared to visible photon conversion, multiphoton UV to NIR downconversion).
Small Business Information at Submission:
Research Institution Information:
EIC Laboratories, Inc.
111 Downey Street Norwood, MA 02062
Number of Employees:
The Pennsylvania State University
Office of Sponsored Programs
110 Technology Center
University Park, PA 16802