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

材料研究部和化学、生物工程、环境和运输系统部为该职业奖提供资金。它支持计算研究和教育活动，以研究生物分子与固态膜装置的相互作用。PI将开发复杂的计算机模型，并将其应用于研究用于生物分子传感应用的新型固态纳米孔器件。这项研究将通过优化材料特性和几何形状（如膜厚度和纳米孔形状）来提高器件性能，目标是最大限度地提高其传感和检测能力。该项目将通过深入了解具有战略重要性的固态生物传感器领域纳米级的物理过程，对科学和技术产生直接影响。拟议的研究与教育活动密切相关，并支持已建立的美国和国际合作。该项目整合了本科生和研究生层面的研究和教育，它将通过在生物技术和纳米技术的STEM密集领域提高教师素养，为克拉克森大学面向K-12学校学生和两年制大学生的外联活动做出重大贡献。PI将与少数民族学生和妇女合作，扩大这些群体对科学的参与。开发的软件“视觉生物和纳米技术入门”将分发给地区学校和两年制学院。材料研究部和化学、生物工程、环境和运输系统部为该职业奖提供资金。它支持计算研究和教育活动，以研究生物分子与固态膜装置的相互作用。所提出的研究的智力价值在于开发固态纳米孔装置的综合动力学模型以及DNA分子的粗粒度模型。PI将通过改变膜的组成、施加的电势和纳米孔的几何形状来开发DNA传感和操纵的新策略。该项目将通过提供对具有战略重要性的固态生物传感器领域纳米级物理过程的深入了解，对科学和技术产生直接影响。拟议的研究与教育活动密切相关，并支持已建立的美国和国际合作。该项目整合了本科生和研究生层面的研究和教育，它将通过在生物技术和纳米技术的STEM密集领域提高教师素养，为克拉克森大学面向K-12学校学生和两年制大学生的外联活动做出重大贡献。PI将与少数民族学生和妇女合作，扩大这些群体对科学的参与。开发的软件“视觉生物和纳米技术入门”将分发给地区学校和两年制学院。

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.