Collaborative Research: Cyberinfrastructure-enabled Computational Nanoscience for Energy Technologies

提案编号：EPS-1010674机构：内布拉斯加州大学链接：EPS-1010094机构：波多黎各大学提案标题：协作研究：支持网络基础设施的能源技术计算纳米科学这个EPSCoR研究基础设施改进(RII)Track-2奖项建立了一个由内布拉斯加州(NE)和波多黎各(PR)的五所大学和两个计算中心组成的联合体，以期在能源技术纳米科学领域发挥协同领导作用。该联盟汇集了两个司法管辖区的专业知识和资源，以建立一支足够多的计算材料科学家。该项目将开发一个适应性的网络基础设施，提供对当地和国家计算资源的访问，并为计算纳米科学的博士后研究员、研究生和本科生提供以研究为基础的教育。该联盟将在能源技术方面实现新的合作前沿研究，扩大四年制大学的研究机会，并增加在东北和PR的STEM领域中未被充分代表的群体的参与。智力价值这项研究专注于探索用于节能电子的新型纳米材料的新功能特性，并开发用于能源应用的纳米催化剂。预测性计算建模工作将为测试新想法提供途径，并为优化物理实验提供指导。联盟成员将在与开放科学网格和TeraGrid等国家资源相连的现代计算环境中进行合作。NE和PR的计算材料研究人员和软件开发人员将合作创建电子结构和量子化学代码的开放源代码代码库(OSCL)，并促进新材料和纳米结构的设计，以实现高效的能源应用。更广泛的影响NE-PR联盟将扩大和增强NE和PR大学的计算能力、联网可能性和研究和教育活动。OSCL将作为纳米科学代码库，这将使计算纳米科学界受益。总体而言，该联盟将跨越机构、地理和文化边界，将NE和PR的人力资源和设施聚集在一起，并使新的能源技术合作前沿研究成为可能。该项目将培养一支多样化的、准备充分的、具有国际竞争力的STEM劳动力队伍，这是维持国家竞争优势所必需的。拉美裔学生在网络工作中的参与度将会提高。该项目包括一个强有力的传播部分，旨在吸引服务不足的学区的低收入第一代大学预科学生和教师，以及提高普通公众对纳米科学的认识。

Proposal Number: EPS -1010674Institution: University of NebraskaLinked to: EPS-1010094Institution: University of Puerto RicoProposal Title: Collaborative Research: Cyberinfrastructure-enabled Computational Nanoscience for Energy TechnologiesThis 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 MeritThe 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 ImpactsThe 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.