Statistical Mechanics of Active Matter

科罗拉多州立大学的Grzegorz Szamel得到了化学系化学理论、模型和计算方法项目的一个奖项的支持，以发展活性物质的统计力学。活性物质是指利用环境中的能量进行系统运动的物体。有很多例子，细胞，细菌，特别是制备的胶体颗粒，以及宏观物体，如活动物。由于其组成部分持续消耗和耗散能量，活性物质系统可以表现出与更熟悉的平衡系统非常不同的迷人特性。Szamel和他的团队将开发新的方法来研究活性物质的性质，并将推进对这些性质的基本理解。Szamel的研究项目将使本科生和研究生接触到各种先进的科学方法。Szamel和他的团队将为高中理科学生开展一项外展活动，重点关注布朗运动的科学和历史重要性，并将伴随着简单的项目。活性物质的静态和动态行为的描述是一项杰出的科学挑战，对生物系统的理解和生物启发材料的设计具有影响。Szamel和他的团队将推导并测试有效的计算机模拟方法，以研究活性物质的流变特性。接下来，他们将进一步发展活性物质的随机热力学。他们将使用它来开发单活性粒子发动机的反馈控制协议。最后，Szamel和他的小组将阐明长程等时速度相关的重要性，这种相关在没有明确的速度对准相互作用的自推进粒子系统中自发产生。研究活动将提高本科生，研究生和博士后助理的教育经验。首先，通过不同项目的组合，研究生和博士后将获得计算，模拟和纯理论方法的深入知识。其次，Szamel将开发一门新的先进的软材料物理化学课程，这将成为新的本科物理化学课程的一个组成部分。第三，他将开发计算和理论化学的顶点计划。该奖项反映了NSF的法定使命，并通过使用基金会的知识价值和更广泛的影响审查标准进行评估，被认为值得支持。

Grzegorz Szamel of Colorado State University is supported by an award from the Chemical Theory, Models and Computational Methods program in the Chemistry division to develop statistical mechanics of active matter. Active matter consists of objects that use energy from their environment to perform systematic motion. There is a wide range of examples, cells, bacteria, especially prepared colloidal particles, and macroscopic objects like live animals. Due to the continuous consumption and dissipation of energy by their constituents, active matter systems can exhibit fascinating properties that are very different from those of more familiar equilibrium systems. Szamel and his group will develop new methods to study the properties of active matter and will advance the fundamental understanding of these properties. Szamel's research projects will expose undergraduate and graduate students to a variety of advanced scientific methods. Szamel and his group will develop an outreach activity for high school science students focusing on the scientific and historical importance of Brownian motion, which will be accompanied by simple projects.The description of static and dynamic behavior of active matter is an outstanding scientific challenge, which has implications for the understanding of biological systems and the design of bio-inspired materials. Szamel and his group will derive and test efficient computer simulation methods to study rheological properties of active matter. Next, they will further develop the stochastic thermodynamics of active matter. They will use it to develop feedback control protocols for single active particle engines. Finally, Szamel and his group will elucidate the importance of the long-range equal time velocity correlations, which spontaneously arise in systems of self-propelled particles without explicit velocity aligning interactions. The research activities will enhance the educational experience of undergraduate students, graduate students, and postdoctoral associates. First, through a combination of different projects graduate students and postdoctoral associates will gain deep knowledge of both computational, simulational, and purely theoretical methods. Second, Szamel will develop a new advanced physical chemistry of soft materials course, which will become an integral part of the new undergraduate physical chemistry curriculum. Third, he will develop a capstone program in computational and theoretical chemistry.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.