Statistical computational assisted design

Tao Wang is Assistant Professor in the Department of Epidemiology and Biostatistics at University of South Florida. His research interests are in the design and analysis of microarray experiments and statistical computing. 

The important difference between the statistical mixture design and the PRISMA method is that the former yields a computer-assisted optimum solvent composition whereas the latter relies on structured trial and error. In TLC, the PRISMA method is a viable alternative because the time to prepare and evaluate each solvent composition is small and several different compositions can be evaluated simultaneously with several development systems. The PRISMA is also very powerful for the selection of mobile phase in over-pressured layer chromatography. 

In fact, a lot of organic building blocks can yield immense COFs with diverse topology and functionalities. Experimentally exploring the properties of all the COFs of interest would be difficult. Fortunately, theoretical methods have been considered useful to assist experiments in the case of materials science, and can be an effective tool in explaining the mechanism of experimental phenomena, as well as in further designing novel materials and predicting the properties of interest. The basic computational methods that can be used in molecular systems are quantum mechanics calculations and molecular simulations based on statistical mechanics and classical physics. 

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