Department of Chemistry

Marco Caricato

College of Liberal Arts and Sciences - Chemistry
Assistant Professor
Primary office:
Malott Hall
Room 3062B
1251 Wescoe Hall Dr.

2014-present: Assistant Professor, KU
2010-2014: Research Scientist, Gaussian, Inc.
2006-2010: Postdoctoral Fellow, Yale University 
: Ph.D. Summa Cum Laude in Chemistry at the Scuola Normale Superiore (SNS), Pisa, Italy.
2002: M.S. in Chemistry at the University of Pisa, Pisa, Italy.

Research Interests

  • Molecular Quantum Mechanics
  • Electronic Structure Theory
  • Excited States and Electronic Transitions
  • Solvation
  • Photochemistry
  • Simulation of UV/Vis Spectra in Gas and Condensed Phase
  • Chiroptical Spectroscopy
  • High Performance Scientic Programming

Selected Publications

Lahiri, P., Wiberg, K. B., Vaccaro, P., Caricato, M., & Crawford, T. D. (2014). Large Solvent Effects in the Optical Rotatory Dispersion of Norbornenone. Angew. Chem. Int. Ed, 53(5), 1386-1389. DOI: 10.1002/ange.201306339

Caricato, M. (2013). A Comparison between State-Specic and Linear-Response Formalisms for the Calculation of Vertical Electronic Transition Energy in Solution with the CCSD-PCM Method. J. Chem., 139, 044116.

Selected Grants

Caricato, Marco, (Principal), Multilayer Strategies for the Investigation of Electron Recombination Reactions in Organic Photovoltaics, EPS-0903806, Kansas NSF EPSCoR, $84,486, Submitted 10/27/2014 (01/01/2015 - 09/30/2015). State of Kansas. Status: Funded.


12/15/20 Robert and Ty join our group, welcome!

12/14/16 Sijin and Joseph's (Lawrence High School) paper on EOM-CCSD-PCM benchmarcking was accepted in JCTC

11/27/16 Alessandro's paper with Jeremy, our REU student from summer 2015, on point charge embedding for excited states was accepted for publication on JCP.

10/26/16 The entire Caricato group (except Marco) is presenting at MWRM2016 in Manhattan, KS.

10/20/16 Tal's paper on helicene derivatives in collaboration with the Avarvari group in France is accepted for publication in Chemistry-A European Journal!

08/01/16 Alessandro's paper on electronic coupling in solids using DFT PBC methods is published on JPCC.

05/09/16 Sijin's paper on multi-state extrapolation of UV/Vis spectra is published on JCP.

05/07/16 Matt and Sijin receive the McCollum Award for excellence in research. Congratulations!

12/05/15 Matt and Alessandro give a talk at the Kansas Physical Chemistry Symposium, while Tal and Sijin present a poster. 

12/03/15 Amy Jystad joins our group as a graduate student. Welcome Amy!

11/06/15 Marco's paper was accepted in JCTC


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