Accession Number:

ADA532541

Title:

Sculpting Molecular Potentials to Design Optimized Materials: The Inverse Design of New Molecular Structures

Descriptive Note:

Final rept. 1 Jul 2004-31 Jul 2009

Corporate Author:

DUKE UNIV DURHAM NC OFFICE OF RESEARCH SUPPORT

Report Date:

2010-05-10

Pagination or Media Count:

10.0

Abstract:

The aim of this project was to develop inverse design methods capable of designing optimized molecular species and materials. The project involved the development of continuous, integer, and hybrid molecular optimization methods that allow the identification of optimal target species. A component of this project involves the synthesis and characterization of these candidate materials. The target property in this project is the nonlinear optical response of organic species. The outcome of this project was a suite of methods useful for the design and optimization of molecular materials.

Subject Categories:

  • Physical Chemistry

Distribution Statement:

APPROVED FOR PUBLIC RELEASE