Collaborative Research: Cyberinfrastructure-enabled Computational Nanoscience for Energy Technologies

University Of Puerto Rico, San Juan PR

Investigators

Abstract

Proposal Number: EPS -1010674 Institution: University of Nebraska Linked to: EPS-1010094 Institution: University of Puerto Rico Proposal Title: Collaborative Research: Cyberinfrastructure-enabled Computational Nanoscience for Energy Technologies This EPSCoR Research Infrastructure Improvement (RII) Track-2 award builds a consortium of five universities and two computing centers in Nebraska (NE) and Puerto Rico (PR) for collaborative leadership in nanoscience for energy technologies. This consortium brings together the expertise and resources of both the jurisdictions to build a critical mass of computational materials scientists. The project will develop an adaptive cyberinfrastructure that provides access to local and national computing resources and provide research based education for postdoctoral fellows, graduate and undergraduate students in computational nanoscience. The consortium will enable new collaborative cutting-edge research in energy technologies, expand opportunities for research in four-year colleges, and increase the participation of underrepresented groups in STEM fields in both NE and PR. Intellectual Merit The research is focused on exploring new functional properties of novel nanomaterials for energy efficient electronics and the development of nanocatalysts for energy applications. Predictive computational modeling efforts will provide routes for testing new ideas and guidance for optimized physical experimentation. The consortium members will work collaboratively in a modern computational environment linked with national resources such as the Open Science Grid and TeraGrid. Computational materials researchers and software developers in NE and PR will collaborate to create an Open Source Code Library (OSCL) of electronic structure and quantum chemistry codes and facilitate the design of new materials and nanostructures for efficient energy applications. Broader Impacts The NE-PR consortium will expand and enhance the computational capabilities, networking possibilities for research and educational activities at the universities of NE and PR. The OSCL will serve as a repository of nanoscience codes which will benefit the computational nanoscience community. Overall, the consortium will bring together human resources and facilities of NE and PR across institutional, geographical and cultural boundaries and enable new collaborative cutting-edge research in energy technologies. This project will train a diverse, well-prepared, and internationally competent STEM workforce necessary to sustain the nation's competitive edge. The participation of Hispanic students in the cyber-workforce will be increased. The project includes a strong dissemination component aimed at engaging low-income, first generation pre-college students and teachers at underserved school districts, as well as raising the awareness of the general public about nanoscience.