AF: EAGER: An Algorithmic Framework for Self-Assembly

自组装是许多生物体中普遍存在的、自然的、鲁棒的过程，并且通过独立物体/实体的协调动作而发生，导致形成明确定义的模式。例如，微管形成了细胞分裂过程中出现的纺锤体等结构的框架。该项目的目标之一是开发一个算法框架，以识别自组装系统中编码模式的智能。从这个项目中获得的见解是重要的计算科学和工程，以开发新的工程自组装系统。算法框架的新奇在于随机离散事件模拟和细胞自动机中的分子/细胞水平模型的结合。这种方法将使多个离散事件在自组装过程的多个时间层次上的合作，以提供对在这种系统中观察到的表现出特定行为的这种事件的精确控制。本研究将发展一个离散的动态细胞自动机模型来描述微管蛋白二聚体在形成微管晶格时的局部行为，并为更广泛的算法社区提供一个混合算法框架。其他更广泛的影响包括对学生的多学科培训，以及将研究纳入计算机科学和机械工程课程的本科/研究生课程。外联活动包括开发和组织与自组装算法和框架有关的讲习班。拟议的MTetris游戏旨在吸引初中和高中学生到STEM领域。研究结果将通过期刊和会议出版物传播，并在网上免费提供。

Self-assembly is a ubiquitous, natural, robust process in many living organisms and occurs through coordinated action of independent objects/entities leading to the formation of well-defined patterns. For instance, microtubules form a framework for structures such as the spindle apparatus that appears during cell division. A goal of this project is to develop an algorithmic framework to identify the intelligence of encoded patterns in self-assembly systems. Insights gained from this project are important to computational science and engineering in order to develop novel engineered self-assembly systems. The novelty of the algorithmic framework lies in the combination of stochastic discrete event simulations and molecular/cellular level models in cellular automata. This approach will enable the cooperation of multiple discrete events at multiple temporal levels of the self-assembly process to provide precise control of such events that exhibits specific behaviors observed in such systems. A discrete dynamical cellular automata model will be developed to represent the local behavior of interacting tubulin dimers in forming a microtubules lattice.The research will provide a hybrid algorithmic framework for the wider algorithmic community. Other broader Impacts include multidisciplinary training for students, and integration of research into undergraduate/graduate courses in computer science and mechanical engineering curricula. Outreach activities involve developing and organizing workshops related to self-assembly algorithms and framework. The proposed MTetris game is intended to attract middle and high school students to STEM fields. The results will be disseminated through journal and conference publications and freely available online.