题目：Molecular Geometry and Its Operating System: A New Challenge and Opportunity

报告人：Deok-Soo Kim, Hanyang University, Korea

时间：2016年12月17日 星期六 10:00-11:30

地点：管理科研楼1218室

摘要：The geometry of atomic arrangement underpins the structural understanding in many fields. In biology, the structure of biomolecules determines their function. In chemistry, physics, and materials science, the properties of inorganic molecules result from the geometrical arrangement of their atoms. However, a general framework of mathematical/computational theory for the geometry of atomic arrangement does not exist. Here we present ``Molecular Geometry (MG)'' as such a theoretical framework and ``MG Operating System (MGOS)'' which consists of callable functions based on the Voronoi diagram of spherical atoms that implements the MG theory. MG facilitates simpler modeling of molecular structure problem in geometry-centric principle and the MGOS functions can be conveniently embedded in application programs for the efficient and accurate solution of geometric queries involving atomic arrangements. MG, accompanied by MGOS, will allow researchers to focus more on their primary research issues by freeing them from the time-consuming and error-prone tasks of developing and implementing highly sophisticated and complex geometry algorithms for molecular structure studies. The impact of math libraries of general purpose high-level programming languages to science and engineering is an appropriate metaphor of that of MGOS, which is currently, freely available at Voronoi Diagram Research Center, to the worlds consisting of spherical entities including atomic arrangements.

报告人简介：Deok-Soo Kim is a professor at the Voronoi Diagram Research Center, School of Mechanical Engineering, Hanyang University, Korea. His website is: http://voronoi.hanyang.ac.kr