Prof. Deok-Soo Kim [Hanyang University, Korea]

Title: Molecular Geometry and Its Application to Material Science

Time: 10:50 - 11:30 AM, Friday, January 20, 2017

Place: Conference room 410, HPSTAR (Shanghai)

Host: Dr. Wenge Yang

Abstract

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.

In this talk, the application of MG/MGOS to material science will be discussed in-depth.

Biography of the Speaker:

Professional History

Hanyang University, Seoul, Korea (1995 to Present)

(Tenured) Professor (March 2004 to Present)

Associate Professor (March 1999 to February 2004)

Assistant Professor (March 1995 to February 1999)

Education

Dept.of Industrial Engineering, Hanyang University (B.S.)    1982

Dept.of Industrial Engineering, New Jersey Institute of Technology, USA (M.S.)  1985

Dept.of Industrial and Operations Engineering, The University of Michigan, USA (Ph.D.)  1990