报告题目：

Mathematical Foundation of Mesoscopic Models for Complex Fluids

报告摘要:

Although the atomistic simulation has become a standard computational tool for studying molecular systems, an all-atom model resolves excessive details and becomes computationally prohibitive to access systems at large spatial-temporal scales. To this end, coarse-grained (CG) approaches and mesoscopic models have been developed to overcome the limitation of scales. In this talk, I will introduce how to apply the rigorous theoretical approach of the Mori-Zwanzig (MZ) formalism to derive new governing equations for CG dynamics of complex fluids. I will demonstrate the coarse-graining procedure by running a molecular dynamics simulation of polymer melts and constructing the MZ-guided CG model directly from atomistic trajectories, as well as the computation of the memory kernel of dissipation in CG dynamics. Unlike ad hoc coarse-graining procedures, MZ-guided coarse-graining generates accurate and efficient CG model that reproduces the correct static and dynamic properties of its corresponding atomistic system. I will introduce different coarse-graining strategies with generalized Langevin equations and non-Markovian dissipative particle dynamics models to incorporate the memory effects in practical CG simulations. Moreover, I will present several examples of mesoscopic modeling applied to diverse applications, including smart materials, rheology of complex fluids, and biological processes.

报告人简介：

李振，美国常青藤盟校布朗大学应用数学系副教授。2011年从上海大学应用数学和力学研究所获得流体力学博士学位。毕业后即到美国加州大学Merced分校从事博士后研究，于2013年1月加盟美国布朗大学Crunch课题组，继续开展了三年的博士后研究工作，并于2016年1月晋升为布朗大学应用数学研究助理教授，2017年12月晋升为布朗大学应用数学系的副教授。在布朗大学工作期间，一直从事多尺度建模的数学理论、多尺度计算方法、介观尺度模型、微纳米尺度流体动力学等领域的研究。被国际会议和研究所邀请报告10余次和并做国际会议贡献报告20余次。合作开发并公开发布了用于多种求解器同步耦合的软件库MUI和基于GPU并行计算的粒子模拟器USERMESO-2.0。

报告时间：2018年8月16日下午15:30—16:30

报告地点：扬州大学数学科学学院38号楼一楼报告厅

主办单位：扬州大学数学科学学院

欢迎广大师生参加！