We are looking for
new M.S. , Ph.D.
and Post Doc
Understanding of molecular fuctions and designing the new molecules
Candidates.
Our research interest is focused on "Understanding of molecular functions".With an aid of dramatic evolution of accurate quantum computational chemistry, the size of molecular systems, which can be studied accurately using molecular theory, is increasing very rapidly. Theoretical chemistry has opened up a world of new possibilities. It can treat real systems with predictable accuracy. Computational chemistry is becoming an integral part of theoretical and experimental research in chemical science.Recent advances in synthetic methods and experimental techniques produced a number of interesting chemical phenomena. However, many of those phenomena are waiting for the detailed understanding for their function at the molecular level. To this end, both theoreticians and experimentalists need to be cooperative. We have applied computational approaches to understand molecular functions observed experimentally in several subjects such as fluorescence sensors, electrochromic materials and silicon carbon nanoribbons. And based on such understand, we can try to design new molecules with extra-ordinary functions.
Chemical Reaction Dynamics for Rare Event
In addition, we are also interested in the interactions between carbon-nanotube and organic molecules, diffusion properties of organic molecule on carbon-nanotube, semiconductors, etc. Classical reaction dynamics, electron transfer, vibrational spectra, NMR chemical shifts, conformational studies, reaction kinetics are also interesting. Armed with transition path sampling which has been developed by Prof. Chandler in Department of Chemistry at UC Berkeley and successfully applied to many chemical reactions, we could obtain a lot of informations such as transition states and rate constants for rare events.
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