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  •    Professor
  • Inorganic / Organometallic / Computational Chemistry
  • Ph.D. 2000, University of North Carolina Chapel Hill
  • WEBPAGE : http://baik-laboratory.com/
  • E-MAIL : mbaik2805@kaist.ac.kr
  • Tel/Office : 042-350-2820 (Office), 2860 (Lab) / 2105(E6-4) (Room)

Contact information

Tel: (office) +82-42-350-2820, (office) +82-42-350-2860
Location: (office) Room 2105 (Bldg. E6-4), (lab) Room 1118, 1119 (Bldg. E6-4)
Fax: +82-42-350-2810
E-mail: mbaik2805@kaist.ac.kr


Ph.D., Inorganic and Organometallic Chemistry, UNC Chapel Hill (1995 – 2000)
Vordiplom (B.S.), Chemistry, Heinrich-Heine Universität Düsseldorf (1991 – 1995)


2015 –present Professor, KAIST
2008 – 2015 Associate Professor, Indiana University
2003 – 2008 Assistant Professor, Indiana University
2003 – 2003 Research fellow with Prof. Jenny Green, Oxford Univ.
2000 – 2003 Postdoctoral fellow with Prof. Rich Friesner, Columbia Univ.


2013, Scialog Innovation Award (Research Corporation)
2010, Scialog Fellow Award (Research Corporation)
2009, Kavli Fellow Award (National Academy of Sciences USA & Kavli Foundation)
2007, Alfred P. Sloan Fellow, Alfred P. Sloan Foundation
2007, NSF-CAREER Award, National Science Foundation USA
2006, Cottrell Scholar Award, Research Corporation
2006, Indiana University Outstanding Junior Faculty Award, Indiana University
1999, James T. Dobbins Fellow, Univ. of North Carolina
1999, SCM Fellow, SCM Inc. Amsterdam
1998, Cray Predoctoral Fellow Award, Cray Inc.
1995, DAAD Predoctoral Scholar, Deutscher Akademischer Austausch Dienst


Brief Introduction

We study complex eaction mechanisms of organometallic catalysts using computational molecular modeling techniques. One area of focus is C-H activation reactions that are important for organic synthesis. Another area of interest is artificial photosynthesis, in particular, catalytic reduction of carbon dioxide and oxidation of water. Almost all of our work is done in close collaboration with experimental groups and our ultimate goal is to use computational chemistry to PREDICT new catalysts and new reactions much more efficiently and more quickly than by traditional methods. Our group has relocated to KAIST in August/2015 from Indiana University Bloomington.

Research topics

Organometallic Catalysis
Computational Molecular Modeling
Artificial Photosynthesis

Representative publications

(1) "Mechanistic Investigation of Bis(imino)pyridine Manganese Catalyzed Carbonyl and Carboxylate Hydrosilylation" Tufan K. Mukhopadhyay, Christopher L. Rock, Mannkyu Hong, Daniel C. Ashley, Thomas L. Groy, Mu-Hyun Baik and Ryan J. Trovitch, J. Am. Chem. Soc. 2017 , 139 , 4901-4915 - DOI: 10.1021/jacs.7b00879

(2) "Chemoselective Coupling of 1,1-Bis[(pinacolato)boryl]alkanes for the Transition-Metal-Free Borylation of Aryl and Vinyl Halides: A Combined Experimental and Theoretical Investigation" Yeosan Lee, Seung-yeol Baek, Jinyong Park, Seoung-Tae Kim, Samat Tussupbayev, Jungho Kim, Mu-Hyun Baik and Seung Hwan Cho, J. Am. Chem. Soc. 2017 , 139, 976-984 - DOI: 10.1021/jacs.6b11757

(3) "Why is the Ir(III)-Mediated Amido Transfer So Much Faster than the Rh(III)-Mediated Reaction? - A Combined Experimental and Computational Study" Yoonsu Park, Joon Heo, Mu-Hyun Baik and Sukbok Chang, J. Am. Chem. Soc. 2016 , 138 , 14020-14029

(4) The Electronic Structure of [Mn(V)=O]: What is the Connection Between Oxyl Radical Character, Physical Oxidation State, and Reactivity? Daniel C. Ashley and Mu-Hyun Baik, ACS Catal. 2016 , 6 , 7202-7216

(5) " Catalytic Borylation of Methane" Kyle T. Smith, Simon Berritt, Mariano Gonzalez, Seihwan Ahn, Milton R. Smith III, Mu-Hyun Baik and Daniel J. Mindiola, Science 2016 , 351, 1424-1427