Description :  This project involves the acquisition of an SGI Origin 350. This model and simulation server with 16 R16,000 processors running at 800MHz, 16GB memory, 4x73GB of disk space, and 3 years of support has enhanced and complemented the existing computational facilities at Louisiana Tech University. Undergraduate and graduate students involved in research projects gain knowledge and experience with this state-of-the-art computational facility and the readily available modeling software. Such projects complement the ongoing experimental efforts in the College of Engineering and Science by providing high quality computational research in nano- and biotechnology on three fundamental fronts: small molecules, polymers (biopolymers are explicit), and cells. This equipment also allows researchers to address issues related to the SEP of SAMs in a study that will lead to quantum chemistry-based models for the prediction of this rather poorly understood property. In addition, researchers gain insights for the understanding of biomolecules-substrate interactions for biomedical applications. A third arm of research regarding this project involves following an approach-based method of membrane computing to develop a cell simulator that overcomes the common limitations of current ones.

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Principal Investigator:  Mainardi, Daniela  --  Chemical Engineering

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Collaborators:  Ramu Ramachandran

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Funding Agencies:  National Science Foundation

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Amount Awarded:  $119,649

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Start Period:  09/01/2004

End Period:  08/31/2007