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Tools for Modeling & Simulation of Molecular and Nanomaterials for Optically…

Award Information

Department of Defense
Air Force
Award ID:
Program Year/Program:
2010 / STTR
Agency Tracking Number:
Solicitation Year:
Solicitation Topic Code:
AF 09TT30
Solicitation Number:
Small Business Information
UES, Inc.
4401 Dayton-Xenia Road Dayton, OH 45432-1894
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Woman-Owned: Yes
Minority-Owned: No
HUBZone-Owned: No
Phase 1
Fiscal Year: 2010
Title: Tools for Modeling & Simulation of Molecular and Nanomaterials for Optically Responsive Devices
Agency / Branch: DOD / USAF
Contract: FA9550-10-C-0145
Award Amount: $99,969.00


Military applications for CBRNE/GWTO and C4ISR require R&D for materials to protect personnel and equipment. However, challenges remain in experimental synthesis and characterization of new materials, such as providing insight into observed properties for further advancement. Thus, it is essential to develop a predictive modeling and simulation approach that will not only provide a fundamental understanding, but also allow the a priori prediction properties of materials. Our propose phase I work is to develop, implement, and validate response methods for polarizability and hyperpolarizability in user friendly software that supports the task of developing new materials. Software implementation will be integrated in the GAMESS-US program that can effectively utilize massively parallel computers. This enables predictions of properties for materials to be carried out in an efficient manner. BENEFIT: Upon successful completion, software required for the designs of new NLO materials for will be available for distribution/commercialization. Industrial applications of the new software include 3D optical storage memory, confocal microscopy, second harmomic generation, and photodynamic therapy as cancer treatment.

Principal Investigator:

Kiet Nguyen
Research Scientist

Business Contact:

Bryce W. Skinn
Business Relations Manager
Small Business Information at Submission:

UES, Inc.
4401 Dayton-Xenia Road Dayton, OH 45432

EIN/Tax ID: 310797776
Number of Employees:
Woman-Owned: No
Minority-Owned: No
HUBZone-Owned: No
Research Institution Information:
Iowa State University
Sponsored Programs Admin.
1138 Pearson Hall
Ames, IA 50011
Contact: Tammy Polaski
Contact Phone: 5152945225