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Department of Chemistry, Physics, and Atmospheric Sciences – CHEMISTRY
College of Science, Engineering, and Technology


Chemistry is the study of how matter behaves at its most basic level. The central science, chemistry, is involved in everything that we do. Its applications stretch across all areas of life, including medicine, engineering and agriculture.

Ming-Ju Huang


 Ming-Ju_sz 1400 J. R. Lynch Street, P.O. Box 17910
Jackson, MS39217-0510



Physical location:
John A. Peoples Science Building
Office: room #506

Tel: (601) 979-3492
Fax: (601) 979-3674



Practicum in College Chemistry Teaching: Laboratory CHEM 750
Physical Chemistry CHEM 341 and CHEM 342
General Chemistry Lab. CHML 141 and CHML 142

Research Interests:

Computer-Aided Drug Design, QSAR, Molecular Similarity: Our research focuses on the development of methods for computer-aided drug design, the application of quantum chemical methods to molecular structure, receptor-ligand binding activity, and QSAR studies with traditional regression and neural network approaches based on calculated molecular properties from quantum mechanical methods. Our ultimate goal for computer-aided drug design is to provide some useful drug candidates for synthetic chemists before they start their synthesis.
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Selected publications (Click here For Full list of Publications)

  1. B Napolion, JD Watts, MJ Huang, FM McFarland, EE McClendon, WL Walters, QL Williams, Accurate theoretical predictions for carbonyl diazide molecules: A coupled-cluster study of the potential energy surface and thermochemical properties, Chemical Physics Letters 559, 18-25, 2013.
  2. MJ Huang, JD Watts, Theoretical study of triatomic silver (Ag3) and its ions with coupled-cluster methods and correlation-consistent basis sets, Physical Chemistry Chemical Physics 14 (19), 6849-6855, 2012.
  3. MS Liao, MJ Huang, JD Watts, Factors that distort the heme structure in Heme-Nitric Oxide/OXygen-Binding (H-NOX) protein domains. A theoretical study, Journal of inorganic biochemistry, 118, 28-38, 2012.
  4. B Napolion, F Hagelberg, MJ Huang, JD Watts, TM Simeon, D Vereen, WL Walters, QL Williams, Theoretical investigation into the structural, thermochemical, and electronic properties of the decathio[10]circulene, Journal of Physical Chemistry A, 115 (31), 8682-8690, 2011.
  5. Meng-Sheng Liao, Ming-Ju Huang, and John D. Watts, “Iron Porphyrins with Different Imidazole Ligands. A Theoretical Comparative Study”, J. Phys. Chem. A. 114 (35), 9554-9569, 2010.
  6. Meng-Sheng Liao, John D. Watts, and Ming-Ju Huang, “Supramolecular Interactions of Fullerenes with (Cl)Fe- and Mn Porphyrins. A Theoretical Study”, Phys. Chem. Chem. Phys., 11, 6072-6081, 2009.
  7. Meng-Sheng Liao, John D. Watts, and Ming-Ju Huang, “Assessment of Dispersion Corrections in DFT Calculations on C60-Porphyrin Complexes”, Phys. Chem. Chem. Phys., 11, 4365-4374, 2009.
  8. John D. Watts, David J. Watts, and Ming-Ju Huang, “Theoretical Study of the Tautomerism, Structures, and Vibrational Frequencies of the Phosphaalkenes XP=C(CH3)2 (X = H, F, Cl, Br, OH, ArF (ArF = 2,6-(CF3)2C6H3))”, J. Phys. Chem. A, 113(10), 1886-1891, 2009.
  9. J. D. Watts, “An Introduction to Equation-of-Motion and Linear-Response Coupled-Cluster Methods for Electronically Excited States of Molecules”, in Radiation Induced Molecular Phenomena in Nucleic Acids; M. K. Shukla and J. Leszczynski, Eds.; Springer, 2008, pp. 65-92.
  10. Brian Napolion, Ming-Ju Huang, and John D. Watts*, “Coupled-Cluster Study of Isomers of H2SO2”, J. Phys. Chem. A 112, 4158-4164, 2008.



Important Dates

CSET Scholars Academy

Community Engagement


For more information, please contact us at (601) 979-7012.  We look forward to meeting with you and seeing how our program can help you achieve your goals.



Jackson State University
Department of Chemistry
1325 J. R. Lynch St.
P.O. Box 17910
Jackson, MS 39217-0510


(601) 979-2171