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 David Churchill , 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
 
 
 
 
 
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Our Research
Organometallics
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. 
Mechanisms
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
  1. Diyne Cyclopolymerization paper published
    Jan/05/2018: Our paper in collaboration with Prof. Choi has been published in JACS. Congrats, Hoimin, Mannkyu and Seongyeon!
  2. Zirconium Methylidene paper published
    Jan/16/2018: Our paper in collaboration with Prof. Mindiola has been published in Angew. Chem. Int. Ed. Congrats, Manoj!
  3. Cobalt Redox Flow Batteries paper published
    Jan/31/2018: Our paper in collaboration with Prof. Byon has been published in Adv. Energy. Mater. Congrats, Ji Young!
  4. Olefination of Methane paper published
    Feb/13/2018: Our paper in collaboration with Prof. Mindiola has been published in Chem. Sci. Congrats, Joonghee and Bohyun!
  5. Formation of γ-lactams paper published
    Mar/02/2018: Our paper in collaboration with Prof. Chang has been published in Science Congrats, Yoonsu!
  6. Mookie received the Humboldt-Bessel Prize
    Mar/29/2018: Mookie received the Friedrich Bessel Prize awarded by the Alexander von Humboldt Foundation to internationally renowned scientists. The prize will be presented to him later this year by the German President Frank-Walter Steinmeier in Berlin. Congrats, Mookie!
  7. Asymmetric Dearomatization paper published
    Apr/27/2018: Our paper in collaboration with Prof. Meggers has been published in Angew. Chem. Int. Ed. Congrats, Hoimin and Juhyeong!
  8. Arylation of Triazolopyridines paper published
    April/30/2018: Our paper in collaboration with Prof. Hong has been published in Chem. Asian J. Congrats, Deeya!
  9. Redistribution of Silyium paper published
    May/21/2018: Our paper in collaboration with Prof. Oestreich has been published in Chem. Sci. Congrats, Bimal!
  10. Reodivergent Cycloadditions paper published
    May/22/2018: Our paper in collaboration with Prof. Yoo has been published in ACS Catal. Congrats, Seung-yeol!
  11. Oxidation of Cymantrene paper published
    Jun/14/2018: Our paper in collaboration with Prof. Geiger has been published in Organometallics. Congrats, Ji young!
  12. Scorpionate Catalyst paper published
    Jun/20/2018: Our paper in collaboration with Prof. Kim has been published in J. Org. Chem. Congrats, Mannkyu!
  13. Alkoxide Hydrosilanes paper published
    Jul/10/2018: Our paper in collaboration with Prof. Chang has been published in JACS. Congrats, Hoimin!
  14. Uranium Complex paper published
    Jul/27/2018: Our paper in collaboration with Prof. Schelter and Prof. Mindiola has been published in JACS. Congrats, Ho and Ji young!
  15. Carbonyl Olefination Methods paper published
    Jul/23/2018: Our paper in collaboration with Prof. Sahu and Prof. Yi has been published in JACS. Congrats, Manoj and Ho!
  16. β-pyridyl Alkylphosphonates paper published
    Aug/06/2018: Our paper in collaboration with Prof. Hong has been published in Org. Chem. Front. Congrats, Joonghee and Bohyun!
  17. Computational Modeling paper published
    Sep/24/2018: Our paper has been published in Organometallics. Congrats, Ho, Jiyong, Hong Ki, Ji Young, and Seoung-Tae!
  18. Selectively Activated TMDCs paper published
    Oct/11/2018: Our paper in collaboration with Prof. Cheon has been published in JACS. Congrats, Hong Ki!
  19. Monoborylation of Methane paper published
    Sep/12/2018: Our paper in collaboration with Prof. Mindiola has been published in ACS Catal. Congrats, Seihwan!
  20. Cu-Catalyzed C-H Amination paper published
    Oct/12/2018: Our paper in collaboration with Prof. Chang has been published in JACS. Congrats, Joon!
  21. Seihwan Ahn PhD Dissertation
    Nov/19/2018: Seihwan passes his PhD dissertation defense. Congrats, Dr. Ahn!
  22. Yoonsu Park PhD Dissertation
    Nov/05/2018: Yoonsu passes his PhD dissertation defense. Congrats, Dr. Park!