CAREER: Coupling nanoscale device modeling with coarse-grained biomolecular simulations

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NONTECHNICAL SUMMARY The Division of Materials Research and the Division of Chemical, Bioengineering, Environmental and Transport Systems contribute funds to this CAREER award. It supports computational research and educational activities to study biomolecular interactions with solid-state membrane devices. The PI will develop complex computer models and apply them to investigate novel solid-state nanopore devices for biomolecular sensing applications. This research will allow improvement of device performance by optimizing material characteristics and geometry, such as membrane thickness and nanopore shape, with a goal to maximize its sensing and detection capabilities. This project will have an immediate impact on science and technology by gaining insight into physical processes at the nanoscale in the strategically important solid-state bio-sensor area. The proposed research is closely intertwined with educational activities, and supports established US-based and international collaborations. This project integrates research and education at undergraduate and graduate levels, and it will make a significant contribution to Clarkson University outreach activities to K-12 school students and two-year college students through teacher literacy enhancement in the STEM intensive areas of Biotechnology and Nanotechnology. The PI will work with minority students and women to broaden the participation of these groups in science. Developed software, "Introduction to Visual Bio- and Nanotechnology" will be distributed to regional schools and two-year colleges. TECHNICAL SUMMARYThe Division of Materials Research and the Division of Chemical, Bioengineering, Environmental and Transport Systems contribute funds to this CAREER award. It supports computational research and educational activities to study biomolecular interactions with solid-state membrane devices. The intellectual merit of the proposed research lies in the development of a comprehensive dynamical model of a solid-state nanopore device together with a coarse-grained model of a DNA molecule. The PI will develop new strategies for DNA sensing and manipulation by altering the membrane composition, applied potential and the nanopore geometry. This project will have an immediate impact on science and technology by providing insights into the physical processes at the nanoscale in the strategically important solid-state bio-sensor area. The proposed research is closely intertwined with educational activities, and supports established US-based and international collaborations. This project integrates research and education at undergraduate and graduate levels, and it will make a significant contribution to Clarkson University outreach activities to K-12 school students and two-year college students through teacher literacy enhancement in the STEM intensive areas of Biotechnology and Nanotechnology. The PI will work with minority students and women to broaden the participation of these groups in science. Developed software, "Introduction to Visual Bio- and Nanotechnology" will be distributed to regional schools and two-year colleges.