Department of Chemistry

Principal Investigator

Marco Caricato
Assistant Professor
Malott Hall, Room 3062B

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.

Graduate Students

Tal Aharon
Graduate Student

B.S. from the University of Massachusetts, Amherst

Matthew Barclay
Graduate Student

B.S. from Creighton University.

Sijin Ren
Graduate Student

B.S. from Murray State University

Amy Jystad
Graduate Student

B.S. from the University of St. Mary

Ty Balduf
Graduate Student

B.S. from St. Ambrose University

Kaihua Zhang
Graduate Student

B.S. from Beijing University of Technology

Undergraduate Students

Hunter LeBlanc
Chemistry Undergraduate
Katherine Vander Laan
Chemistry Undergraduate
Clara Stanton
Chemistry Undergraduate

Former Members:

  • Alessandro Biancardi
  • Robert Adams
  • Jeremy Barnes (REU participant from Park University)
  • Joseph Harms (Lawrence High School)
  • Claudiu Caraiani (KU physics major)




05/01/19 Tal's paper on configuration space analysis of the specific rotation of helicenes was published in JPC-A.

04/15/19 Amy receives the CEBC 2019 Outstanding Research Poster Award. Congratulations!

04/05/19 Marco wins the OpenEye Outstanding Junior Faculty Award at the ACS Spring 2019 National Meeting in Orlando, FL. Congratulations!

01/22/19 Ty's paper on modeling solid state optical rotation using helical chains of diatomic molecules was published in JPC-C.

10/02/18 Amy's paper on computational NMR characterization of metal-doped amorphous silica catalysts was published in Chem. Mater.

09/28/18 Amy's paper on active-site precursors and olefin metathesis activity in W-incorporated silicates was published in ACS Catal.

09/26/18 Matt's paper on dynamics of higher-lying electronic states using resonance-enhanced Raman was published in JPC-A.

09/22/18 Matt, Tal, Amy, Ty, Hunter, and Katherine are presenting at KPCS 2018 in Manhattan, KS.

09/19/18 We thank the DOE for funding our proposal "Ab Initio Machine Learning Algorithms for Modeling Kinetics on Amorphous Catalysts". 

03/18/18 Tal and Ty present at ACS National Meeting in New Orleans, LA.

12/15/17 Kaihua joins our group, welcome!

10/04/17 Congratulations to Alessandro (paper), Amy (paper), and Matt (paper) for their recent publications!

07/24/17 Alessandro's paper for donor-bridge-acceptor systems was accepted for publication in JCTC.

12/15/16 Robert and Ty join our group, welcome!

12/14/16 Sijin and Joseph's (Lawrence High School) paper on EOM-CCSD-PCM benchmarking 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


KU Today
One of 34 U.S. public institutions in the prestigious Association of American Universities
44 nationally ranked graduate programs.
—U.S. News & World Report
Top 50 nationwide for size of library collection.
5th nationwide for service to veterans —"Best for Vets: Colleges," Military Times