MRI/Acq: Proposal for support for the Consortium for Research Computing for the Sciences, Engineering and Technology - CRCSET

提案号：MRI 09-23282PI(s): Flurchick, Kenneth Li, Yaohang；莫汉,内存;院校：北卡农业技术州立大学职称：核磁共振/核磁共振：科学、工程和技术研究计算联盟（简称crcset）该奖项是根据2009年美国复苏和再投资法案（公法111-5）资助的。项目建议：本项目获取、部署和维护一个分布式高性能计算（HPC）系统，旨在提供适当的处理速度和能力，以满足加入科学、工程和技术研究计算机构联盟（CRCSET）的各个部门、项目和研究小组的需求。这些小组试图通过物理化学性质的计算研究和分子、纳米材料和广泛基础块状材料的化学/物理过程的模拟，工程学科中基于物理的建模以及其他领域（如计算生物学、金融、商业等）来推进各自的研究。结合计算科学和工程方面的先进研究培训，此次收购支持核心项目和辅助研究项目，包括：-计算科学与工程项目（核心项目最近批准了博士学位）-压力下有机分子晶体（OMCs）的所有电子研究-聚合物复合材料制造过程建模和模拟-辅助研究项目和工具：。各种溶剂的C60重定向模型。在纳米尺度上模拟材料变形。仿生自适应可重构系统的计算建模与仿真。协作网格计算和可视化的新研究工具-研究和教育支持更广泛的影响：这项工作促进了对历史上黑人学院和/或大学（HBCU）中代表性不足的群体的研究和研究和教育培训，并为其他HBCU提供了计算资源。此外，它的目的是在原子尺度上获得更好的描述，并提高对先进复合材料制造过程的理解。

Proposal #: MRI 09-23282PI(s): Flurchick, Kenneth Li, Yaohang; Mohan, Ram; Tang, GuoqingInstitution: North Carolina Agricultural & Technical State University Title: MRI/Acq.: Support for Consortium for Research Computing for Sciences, Engineering, and Technology - CRCSETThis award is funded under the American Recovery and Reinvestment Act of 2009 (Public Law 111-5).Project Proposed:This project, acquiring, deploying, and maintaining a distributed High Performance Computing (HPC) system, aims to provide appropriate processing speed and power to pursue the needs required by various departments, programs, and research groups that have joined the institutional Consortium for Research Computing for the Sciences, Engineering, and Technology (CRCSET). These groups try to advance their respective research via the computational study of physical chemical properties and simulation of chemical/physical processes in molecules, nano-materials and broad based bulk materials, physics based modeling in engineering disciplines, and other areas such as computational biology, finance, business, etc. Combined with advanced research training in computational science and engineering, the acquisition supports core projects and ancillary research projects, including:- Computational Science and Engineering Program (core program recently approved for a PhD)- All Electron Studies of Organic Molecular Crystals (OMCs) under Pressure- Polymer Composite Fabrication Process Modeling and Simulations- Ancillary Research Projects and Tools: .Modeling C60 Reorientation of Various Solvents .Modeling Material Deformation at Nano-Length Scales .Computational Modeling and Simulation of Bio-Inspired Adaptive and Reconfigurable Systems .New Research Tools for Collaborative Grid Computing and Visualization- Research and Education SupportBroader Impacts: This work fosters research and research and education training for underrepresented groups at a historically black college and/or university (HBCU) and additionally provides computational resources to other HBCUs. Moreover, it aims to gain a better description at the atomic scale of the OMCs and to improve the understanding of the manufacturing processes for advanced composites.