AF: EAGER: An Algorithmic Framework for Self-Assembly

自组装在许多生物体中是一个普遍存在的、自然的、强大的过程，它通过独立的物体/实体的协调作用而发生，从而形成定义明确的模式。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。这个项目的一个目标是开发一个算法框架来识别自组装系统中编码图案的智能。从这个项目中获得的见解对计算科学和工程学来说很重要，以便开发新的工程化自组装系统。该算法框架的新颖之处在于将随机离散事件模拟与元胞自动机中的分子/细胞水平模型相结合。这种方法将使多个离散事件在自组装过程的多个时间水平上能够协作，以提供对在此类系统中观察到的特定行为的此类事件的精确控制。我们将开发一个离散的动态细胞自动机模型来描述相互作用的微管蛋白二聚体在形成微管网格时的局部行为。这项研究将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进行多学科培训，以及将研究纳入计算机科学和机械工程课程的本科生/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。拟议中的MTetris游戏旨在吸引初中生进入STEM领域。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.