应兰州大学数学与统计学院宋伦继副教授邀请，美国阿拉巴马大学数学系赵山教授于2019年6月20日至26日访问我校并作学术报告。

题目：An overview of numerical algorithms for the Poisson-Boltzmann equation in biomolecular electrostatics

时间：2019年6月21日上午9：00

地点：齐云楼911报告厅

摘要：The Poisson-Boltzmann Equation (PBE) is a widely used implicit solvent model for the electrostatic analysis of solvated biomolecules. The numerical solution of the PBE is known to be challenging, due to the consideration of discontinuous coefficients, complex geometry of protein structures, singular source terms, and strong nonlinearity. In this talk, I will offer a brief overview of recent studies in the literature as well as new developments in our group for resolving the PB numerical difficulties. (i) For treating dielectric interface and complex geometry, both finite element methods and Cartesian grid finite difference methods have been developed for delivering a second order accuracy in space. (ii) In the framework of pseudo-time integration, we have constructed an analytical treatment to suppress the nonlinear instability. (iii) For treating charge singularity in solvated biomolecules, we have introduced a new regularization approach, which combines the efficiency of two-component schemes with the accuracy of the three-component methods. Finally, numerical experiments of several benchmark examples and free energy calculations of protein systems are presented to demonstrate the stability, accuracy, and efficiency of the new algorithms.

赵山教授简介

1997年获兰州大学数学系学士学位，2003年获新加坡国立大学计算科学系博士学位，美国密歇根州立大学博士后。自2006年任教于美国阿拉巴马大学数学系，2015年提前晋升为数学系正教授。在分子生物学、计算电磁学、工程计算等交叉学科开展了包括数学建模、数值分析、和算法创新在内的一系列基础研究工作，现已发表了40余篇SCI杂志论文，得到美国国家科学基金的连续资助。

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