Department of Chemistry

Marco Caricato

College of Liberal Arts and Sciences - Chemistry
Associate Professor
Primary office:
Integrated Science Building
Room 3189E
1567 Irving Hill Road


2019-present:‚Äč Associate Professor, KU

2014-2019: Assistant Professor, KU

2010-2014: Research Scientist, Gaussian, Inc.

2006-2010: Postdoctoral Fellow, Yale University

2006: 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 Grants

  • M. Caricato (Principal), W. H. Thompson (Co-Principal), B. B. Laird (Co-Principal), B. Peters (Co- Principal). Ab Initio Machine Learning Algorithms for Modeling Kinetics on Amorphous Catalysts. Department of Energy, $1,588,000. 09/15/18 - 09/14/22.
  • M. Caricato. First Principles Evaluation of Optical Activity in Solids. National Science Foundation CAREER, $625,000. 04/01/17 - 03/31/22.

Selected Awards & Honors

  • 2019 OpenEye Junior Faculty Award from ACS COMP division.
  • 2017 NSF CAREER Award.
  • 2015 Kansas EPSCoR First Award.
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