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

Proposal #: MRI 09-23282

PI(s): Flurchick, Kenneth

Li, Yaohang; Mohan, Ram; Tang, Guoqing

Institution: North Carolina Agricultural & Technical State University

Title: MRI/Acq.: Support for Consortium for Research Computing for Sciences, Engineering, and Technology - CRCSET

This 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 Support

Broader 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.