Sai V. C. Vummaleti, PhD

Postdoctoral Fellows


Research Interests

Application of Density Functional theory (DFT) to understand the reaction mechanisms in the field of Chemistry: olefin metathesis, gold catalysis and Organometallics.

Selected Publications

  • Self-assembled Reverse Micelles in Supercritical CO2 Entrap Protein in Native State
    S.V.C. Vummaleti, S. Senapati
    J. Am. Chem. Soc., 130 (6), 1866 -1870, (2008)
  • Theoretical Insights into the Mechanism of Carbon Monoxide Release from CO-Releasing Molecules
    S.V.C. Vummaleti, D. Branduardi, M. Masetti, M. De Vivo, R. Motterlini, A. Cavalli
    Chem. Eur. J., 18 (30), 9267-9275, (2012)
  • Catalytic Role of Nickel in the Decarbonylative Addition of Phthalimides to Alkynes
    A. Poater, S.V.C. Vummaleti, L. Cavallo
    Organometallics., 32, 6330-6336, (2013)
  • Deconstructing Selectivity in the Gold-Promoted Cyclization of Alkynyl Benzothioamides to Six-Membered Mesoionic Carbene or Acyclic Carbene Complexes
    S.V.C. Vummaleti, L. Falivene, A. Poater, L. Cavallo
    ACS Catal., 4, 1287-1291, (2014)
  • Highly Efficient and Eco-Friendly Gold-Catalyzed Synthesis of Homoallylic Ketones
    A. Gómez-Suárez, D. Gasperini, S.V.C. Vummaleti, A. Poater, L. Cavallo, S.P. Nolan
    ACS Catal., 4, 2701-2705, (2014)
  • The Right Computational Recipe for Olefin Metathesis with Ru-based catalysts: the Whole Mechanism of Ring-Closing Olefin Metathesis
    A. Gómez-Suárez, D. Gasperini, S.V.C. Vummaleti, A. Poater, L. Cavallo, S.P. Nolan
    ACS Catal., 4, 2701-2705, (2014)
  • What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the П-accepting abilities of N-heterocyclic carbenes?
    S.V.C. Vummaleti, D.J. Nelson, P. Poater, A. Gómez-Suárez, D.B. Cordes, A.M.Z. Slawin, S.P. Nolan, L. Cavallo
    Chem. Sci., DOI: 10.1039/C4SC03264K, (2015)


  • Ph.D., Computational Chemistry, Department of Drug Discovery and Development, Italian Institute of  T  echnology, Genoa, Italy, 2012
  • Advanced Post Graduate Diploma in Bioinformatics, Pondicherry University, Pondicherry, India, 2006
  • M.Sc., Biochemistry, Department of Biochemistry, Andhra University, Visakhapatnam, India, 2005

Professional Profile

  • 2012-Present: Postdoctoral fellow, KAUST, Thuwal, Saudi Arabia

KAUST Affiliations

KAUST Catalysis Center (KCC)
Division of Physical Sciences and Engineering (PSE)

Research Interests Keywords

Density functional theory Organometallics Gold catalysis Olefin metathesis and homogeneous catalysis