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Exploring Computational Chemistry On Emerging Architectures, David Dewayne Jenkins
Exploring Computational Chemistry On Emerging Architectures, David Dewayne Jenkins
Doctoral Dissertations
Emerging architectures, such as next generation microprocessors, graphics processing units, and Intel MIC cards, are being used with increased popularity in high performance computing. Each of these architectures has advantages over previous generations of architectures including performance, programmability, and power efficiency. With the ever-increasing performance of these architectures, scientific computing applications are able to attack larger, more complicated problems. However, since applications perform differently on each of the architectures, it is difficult to determine the best tool for the job. This dissertation makes the following contributions to computer engineering and computational science. First, this work implements the computational chemistry variational …
Improving Analytical Utility Of Surface Enhanced Raman Spectroscopy Through Unique Lithographic Substrate Development, Sabrina Marie Wells
Improving Analytical Utility Of Surface Enhanced Raman Spectroscopy Through Unique Lithographic Substrate Development, Sabrina Marie Wells
Doctoral Dissertations
Surface enhanced Raman spectroscopy (SERS) has the potential to be a useful analytical technique due to large signal enhancements. Unfortunately, SERS has several drawbacks, including a lack of reproducibility, which inhibits it from being a practical option. These large signals often arise from “hot spots” of extremely high enhancement on nanofeatured metallic substrates, the most common being comprised of aggregated silver colloid. It is difficult to reproducibly create these hot spots due to the randomness of the colloid substrates. However, through controlled substrate fabrication, many problems associated with SERS analysis can be overcome. Electron beam lithography (EBL) combined with reactive-ion …