This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. The subproject and investigator (PI) may have received primary funding from another NIH source, and thus could be represented in other CRISP entries. The institution listed is for the Center, which is not necessarily the institution for the investigator. The supercomputer resources requested will support our Research Experiences for Undergraduates (REU) Site (5/21/05 7/30/05) which is jointly supported by the Department of Defense and the National Science Foundation (CHE-0354052) titled Integrated Computational and Experimental REU Site at Duquesne University. Ten REU students have meaningful and novel chemical research experiences during the summer in exciting and broad scientific themes, such as nanotechnology, homeland security, advanced instrumentation, pharmaceutical drug design, forensic sciences and chemical biology. Each REU project is supplemented by well-defined computational components that are integrated into nationally recognized and funded graduate research programs. Duquesne has an enthusiastic and qualified team of theoreticians who have extraordinary resources, proven records in student placement, NSF-funded facilities, and established research programs in molecular modeling. The students will be trained to use state-of-the-art computational facilities to advance experimental research. Each student will work a majority of the time directly with an experimental faculty mentor in the laboratory, and consult with a theoretical faculty liaison. Over the last 11 years, the Department s faculty has provided mentoring for 199 undergraduates, resulting in 229 professional presentations and 63 peer-reviewed publications by undergraduates. The faculty has provided research experiences for over 18 students per summer, limited by available scholarships and stipends, and the computational resources to promote joint research projects. The proposed instrumentation will alleviate limitations on the REU Site. The targeted REU students are those beyond their freshman and before their senior year who might not otherwise have the opportunity of a research experience, particularly those from institutions where research programs are limited. One focus is to improve upon the number of underrepresented students (currently 14%) and maintain the number of women participants (currently 60%). A pilot program for the proposed REU site with Florida Memorial College (FMC), a historically black college, has been established in 2001 to create research opportunities for underrepresented students. Prof. Huisso from FMC has become a crucial member of our team in terms of mentoring and recruitment. Over the last two years, Duquesne has awarded six research fellowships to FMC and Mississippi State College for Women. Additionally, research fellowships have been award to three women from regional schools with limited research programs. Two female faculty members have been hired at Duquesne and have become senior personnel on this proposal. Finally, Louis Stokes Alliance for Minority Participation (AMP) schools, along with students from 125 regional Pittsburgh schools (53 minority or all-women colleges), will be actively recruited.
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