In this project, funded by National Science Foundation (Division of Chemistry), Professors Bakhtiyor Rasulev, Dmitri S Kilin, Svetlana V Kilina, and Wenfang Sun at North Dakota State University are developing new organometallic complexes with nonlinear optical absorption (NLO) and near IR (NIR) emission properties. The approach involves the application of combined computational and data-driven methods. The new methodology could offer an efficient and cost-effective development of optical materials for various applications. These applications include optical communication, data storage, dynamic holography, optical switching, optical limiting, photodynamic therapy, and/or photocatalysis. The project lies at the interface of organic, inorganic, materials chemistry, theoretical quantum chemistry, cheminformatics and data mining approaches, and is therefore well suited to the education of scientists at all levels. This group is also well positioned to provide the highest level of education and training for students underrepresented in science. Outreach activities will also be part of the funded project.