Francesco Evangelista

Assistant Professor

Department of Chemistry

Office: 524 Emerson

Phone: 404-727-6608


Additional Contact Information

Additional Websites


  • PhD, Chemistry, University of Georgia, 2009
  • BSc, University of Pisa (Pisa, Italy), 2004
Postdoctoral Fellowship
  • Postdoctoral, University of Mainz (Jürgen Gauss) 2009-2011; Postdoctoral, Yale University (John C. Tully) 2011-2013
Specific Research Area
  • Theoretical, Computational, Materials
Selected Publications
  • A sequential transformation approach to the internally contracted multireference coupled cluster method, F. A. Evangelista, M. Hanauer, A. Köhn, and J. Gauss, J. Chem. Phys. 136, 204108 (2012).
  • Is cyclobutadiene really highly destabilized by antiaromaticity?, C. Wu, Y. Mo, F.A. Evangelista, and P. Schleyer, Chem. Commun. 48, 8437 (2012).
  • An orbital-invariant internally contracted multireference coupled cluster approach, F. A. Evangelista and J. Gauss, J. Chem. Phys. 134, 114102 (2011).
  • Alternative single-reference coupled cluster approaches for multireference problems: The simpler, the better, F. A. Evangelista, J. Chem. Phys. 134, 224102 (2011).
  • Perturbative triples corrections in state-specific multireference coupled cluster theory, F. A. Evangelista, E. Prochnow, J. Gauss, and H. F. Schaefer, J. Chem. Phys. 132, (2010).
Awards and Honors
  • Alfred P. Sloan Research Fellow (2016)

  • Alexander von Humboldt Postdoctoral Research Fellowship (2009-2011)