AF: Small: Explorations of Theoretical Models of Self-Assembly

项目摘要在这项提案中，PI提出了在自组装理论模型中调查一些基本问题的计划，以及直接让大量学生参与研究活动的计划。自组装是简单组件通过局部相互作用自主地聚集在一起形成复杂结构的过程。自组装系统在自然界中含量丰富，是生物有机体形成的关键机制。此外，自组装技术正在成为在纳米尺度上操纵物质的强大工具。发展对自组装理论的成熟的数学和计算理解是利用自组装的力量来大规模制造复杂的纳米器件的重要一步，如电路、分子马达、纳米计算机和纳米生物医学设备。这个项目的重点是理论研究，包括数学分析和模拟软件的开发。这些理论工作很好地补充了正在进行的实验研究，该项目的一个关键部分包括定期访问顶级实验研究实验室，如加州理工大学的Erik Winfree？S DNA和自然算法小组，以及阿肯色大学的Russell Deaton？S DNA和生物分子计算小组，就自组装模型和系统的开发进行互利讨论。这样的参与可以帮助指导他们的远程实验路径，并为PI提供对实验室现实的宝贵见解。在这项建议中，PI提出了一系列他们将在学生参与下进行的多样化的项目。以下是几个例子的简要描述：PI将研究自组装系统自我复制和进化的能力。这些能力是生命系统的基本基石，这样的研究将为生命系统的起源和功能提供洞察力。PI将沿着几个方向扩展，他们最近引入了一种强大的容错模型-模糊温度容错。如果要从人工自组装系统中实现实质性的产品，新的容错技术是极其重要的。PI将继续研究随机化技术的能力，以降低瓷砖的复杂性，同时生成近距离的自组装形状。PI将极大地扩展教师和研究人员可用的自组装软件。PIS模拟器目前被几个讲师和研究小组使用，并有望帮助吸引更多的学生进入该领域和一般研究。对该项目本科生研究的重视具有更广泛的影响，这对NSF来说是特别感兴趣的。德克萨斯大学泛美分校位于南得克萨斯州格兰德河谷地区，在校学生超过18,000人，其中西班牙裔学生占，女学生占59%。这项建议的一个主要目标是通过在以学生为中心的研究研讨会环境中开展大部分研究来增加UTPA计算机科学学生的研究活动。PIS计划将目前的研究研讨会进一步发展为完整的课程，让更多的学生参与原创研究。由于UTPA学生群体的性质，这项计划将有助于在代表性不足的少数群体中扩大对研究生计算机科学的参与。私人投资机构还建议通过提供急需的教育和研究软件来支持更广泛的研究社区。

Project AbstractIn this proposal the PIs present plans to investigate a number of fundamental problems within theoretical models of self-assembly, as well as plans to directly engage a large number of students in research activities. Self-assembly is the process by which simple components autonomously come together by way of local interactions to form complex structures. Self-assembling systems are abundant in nature and are the key mechanisms for the formation of biological organisms. Further, self-assembly technology is emerging as a powerful tool for manipulating matter at the nanoscale. The development of a mature mathematical and computational understanding of self-assembly theory is an important step towards harnessing the power of self-assembly for the large scale fabrication of complex nanoscale devices such as circuits, molecular motors, nanoscale computers, and nano-biomedical devices.The focus of this project is theoretical studies which involve mathematical analyses and also the development of simulation software. Such theoretical work well complements ongoing experimental research and a key portion of this project involves regular visits to top experimental research labs such as Erik Winfree?s DNA and Natural Algorithms Group at Caltech and Russell Deaton?s DNA and Biomolecular Computing group at the University of Arkansas to engage in mutually beneficial discussions regarding the development of self-assembling models and systems. Such involvement can help to guide their long range experimental paths as well as provide the PIs with invaluable insight into the laboratory realities.In this proposal the PIs present a diverse array of projects which they will pursue with heavy student involvement. The following are brief descriptions of a few: the PIs will study the ability of self-assembling systems to self-replicate and evolve. These abilities are the fundamental cornerstones of living systems, and such studies will provide insights into how living systems originated and function. The PIs will extend, along several directions, a powerful model of fault tolerance which they recently introduced, fuzzy temperature fault tolerance. New fault tolerance techniques are of extreme importance if substantial products are to be realized from artificial self-assembling systems. The PIs will pursue studies in the power of randomization techniques for reducing tile complexity while generating close approximations of self-assembled shapes. The PIs will greatly extend the self-assembly software available for both teachers and researchers. The PIs simulator is currently used by several instructors and research groups and has great promise to help draw more students into the field, and research in general.The emphasis on undergraduate research of this project has broader impacts that are of particular interest to the NSF. The University of Texas-Pan American (UTPA), located in the South Texas Rio Grande Valley area, has more than 18,000 students, with an 89% Hispanic and 59% female student population. A primary goal of this proposal is to increase the research activity of UTPA Computer Science students by developing a large portion of the research within the environment of student-centered research seminars. The PIs plan to further develop current research seminars into full courses to involve a larger number of students in original research. Because of the nature of the UTPA student body, this plan will help broaden participation in post graduate Computer Science among under-represented minority groups. The PIs also propose to support the broader research community by providing much needed educational and research software.