Baik Laboratory
Computational Molecular Modeling
          Welcome to the research group of Professor Mu-Hyun (Mookie) Baik.  We are a Computational Molecular Modeling group in the Chemistry Department of KAIST - Korea Advanced Institute of Science and Technology. We develop realistic computer models of complex chemical reactions, focusing on organometallic catalysis. While we are far from being a synthetic group, we also carry out experiments in our group to calibrate our computer simulations, confirm our predictions or disprove our conceptual hypotheses.  

          We are part of the Institute for Basic Science ( IBS ) - Center for Catalytic Hydrocarbon Functionalizations and work in a highly integrated team with the reseach groups of the Professors Sukbok Chang , Sungwoo Hong , Sunkyu Han , Yunho Lee , Hye Ryung Byon Kiyoung Park  and Sang Woo Han .

          Using computer models and traditional mechanistic reasoning, we are interested in designing new catalysts that enable new chemical transformations and technologies that were thought impossible.  The fully integrated approach to research and education within the IBS, where there are no borders between groups in the traditional sense, creates a unique working and learning environment.

          Interested in getting involved?  We are constantly looking to add new group members at all levels - undergraduate, graduate, postdoctoral, staff-research positions are available. Join us
Our Research
Transition metals are fascinating because they can change their chemical behavior more dramatically than main group elements. Depending on oxidation state, coordination number and geometry, complexes of the same metal can behave completely differently from each other.  Understanding how and why these differences emerge is one of our main interests. 
To rationally design new catalysts it is absolutely necessary to fully understand the molecular mechanism of action.  Traditional approaches of mechanism discovery are laborious and often give only very vague ideas of how a reaction works. By combining quantum chemical modeling with experiments, we can construct a much more crisp and precise mechanism.
Catalyst Design
The ultimate goal of our research is to predict new reactions, new catalysts that will either improve a known reaction or allow entirely new reactions to be carried out. Computational chemistry has traditionally been used mostly to rationalize and understand known reactions. We wish to take a step further by using computations to more efficiently and effectively design new reactions.

Latest Results & News