Photo of Shubham Vyas

Shubham Vyas

  • Chemistry and Geochemistry
  • Colorado School of Mines
    Golden, CO 80401


  • Ph.D. Physical Chemistry - The Ohio State University, Columbus OH
  • M.Sc. Physical Chemistry - Indian Institute of Technology Bombay, Mumbai India
  • B.Sc. (Physics-Chemistry-Mathematics) - MLSU, Udaipur India


  • Computational Chemistry
  • Laser Spectroscopy
  • Photochemistry
  • Reactive Intermediates
  • Biophysical Chemistry


  • Granum, D. M.; Vyas, S.; Sambasirao, S. V.; Maupin, C. M. Computational Evaluations of Charge Coupling and Hydrogen Bonding in the Active Site of a Family 7 Cellobiohydrolase J. Phys. Chem. B. 2014, 118, 434-448.
  • Vyas, S.; Winter, A. H.; Hadad, C. M. Computational Studies of Nitrenes and their Excited State Precursors In Wiley Series on Reactive Intermediates in Chemistry and Biology (Nitrenes and Nitrenium Ions); Falvey, D. E., Gudmundsdottir, A. D., Eds. John Wiley and Sons Inc. 2013, 6, p. 33-76.
  • Mirzakulova, E.; Khatmullin, R.; Walpita, K.; Corrigan, T.; Vargas-Barbosa, N. M.; Vyas, S.; Oottikkal, S.; Manzer, S. F.; Hadad, C. M.; Glusac, K. D. Electrode-Assisted Catalytic Water Oxidation by N(5)-Ethyl-Flavinium Ion Nature Chemistry 2012, 4, 794-801.
  • Vyas, S.; Kubicki, J.; Luk, H. L.; Zhang, Y.; Gritsan, N. P.; Hadad, C. M.; Platz, M. S. An Ultrafast Tine-Resolved IR and UV-vis Spectroscopic and Computational Study of the Photochemistry of Acyl Azides J. Phys. Org. Chem. 2012, 25, 693-703.
  • Kubicki, J.; Zhang, Y.; Vyas, S.; Burdzinski, G.; Luk, H. L.; Wang, J.; Xue, J.; Peng, H.-L.; Pritchina, E.; Silwa, M.; Buntinx, G.; Gritsan, N.; Hadad, C. M.; Platz, M. S. Photochemistry of Acyl Azides. An Ultrafast Time-Resolved UVVis and IR Spectroscopic and Computational Study J. Am. Chem. Soc. 2011, 133, 9751-9761.
  • Xue, J.; Vyas, S.; Du, Y.; Luk, H. L.; Chuang, Y. P.; Mok, P. C.; But, T. Y. S.; Phillips, D. L.; Wang, J.; Winter, A.H.; Hadad, C. M.; Platz, M. S. Time-Resolved Resonance Raman and Density Functional Theory Investigation of Influence of 4-Acetamido and 4-N-methylacetamido Substitutions on the Photochemical Fate of Phenylnitrene J. Phys. Chem. A 2011, 115, 7521-7530.
  • Vyas, S.; Muthukrishnan, S.; Kubicki, J.; McCulla, R.; Burdzinski, G; Siwa, M.; Platz, M. S.; Hadad, C. M. Ultrafast Spectroscopy and Computational Study of the Photochemistry of Diphenylphosphoryl Azide: The First Direct Observation of Phosphorylnitrene J. Am. Chem. Soc. 2010, 132, 16796-16804.
  • Vyas, S.; Xia, S.; Zhang, J.; Hadad, C. M. Butyrylcholinesterase and G116H, G116S, G117H, G117N, E197Q and G117H/E197Q Mutants: A Molecular Dynamics Study Chem. Biol. Interact. 2010, 187, 241-245.
  • Zhang, Y.; Burdzinski, G.; Kubicki, J.; Vyas, S.; Hadad, C. M.; Silva, M.; Buntinx, G.; Platz, M. S. A Study of the S1 Excited State of para-Methoxy 3-Phenyl-3-methyl Diazirine by Ultrafast Time Resolved UV-vis and IR Spectroscopies and Theory J. Am. Chem. Soc. 2009, 131, 13784-13790.
  • Vyas, S.; Hadad C. M.; Modarelli, D. A. A Computational Study of the Ground and Excited State Structure and Absorption Spectra of Free-Base N-Confused Porphyrins and Tetraphenylporphyrins J. Phys. Chem. A 2008, 112, 6533-6549.