Department of Chemistry & Mathematics
Phone: (239)590-7636
E-Mail: ysheng@fgcu.edu
Office:

An exciting and challenging aspect of computational chemistry is to develop inter-disciplinary projects that integrate state-of-the-art computational chemistry methods with biological, environmental, and material sciences. 

My research experience includes study of (1) the structure-property relationships of nonlinear optical (NLO) materials and aromatic systems; (2) the reaction mechanisms of organic chemical reactions, homogeneous catalytic polymerization, cycloisomerization, dihydroxylation of olefins; (3) the molecular structures and the nature of interactions in weakly interacting systems; (4) photochromism.
 
Computational Chemistry is a versatile and economical tool for different applications. It provides valuable data regarding the structure and interaction of molecules in different systems. The facility requirement for conducting computational studies is less demanding than setting up an experimental lab. You can do your experiments on a PC cluster, or even on a single PC. It provides undergraduate or graduate students a platform to learn the fundamental computational methods and skills.

Web pages: http://faculty.fgcu.edu/ysheng