Kristy Mardis

Dr. Kristy Mardis


Associate Professor of Chemistry

SCI 241, Lab SCI 101

Phone: 773-995-2171,

Lab X4465




  • B.S., Augustana College, Rock Island, IL
  • Ph.D., University of Wisconsin, Madison
  • Postdoctoral, National Institutes of Standards and Technology

Research Interests

Computational Chemistry. Electron transfer in dye sensitized solar cells, Molecular dynamics, Conformational changes upon oxidation, combining solution-phase x-ray scattering and simulations to determine conformational structures of proteins and light-sensitive compounds.

Recent Presentations and Publications

Charge Transfer: Electronic Structure of Fullerene Heterodimer in Bulk-Heterojunction Blends,  Oleg G. Poluektov, Jens Niklas, Kristy L. Mardis, Serge Beaupré, Mario Leclerc, Carmen Villegas, Sule Erten-Ela, Juan L. Delgado, Nazario Martín, Andreas Sperlich and Vladimir Dyakonov, Adv. Ener. Mat. 2014, 4(7) DOI: 10.1002/AENM.201301517

Highly-efficient charge separation and polaron delocalization in polymer–fullerene bulk-heterojunctions: a comparative multi-frequency EPR and DFT study. Jens Niklas, Kristy L. Mardis, Brian P. Banks, Gregory M. Grooms, Andreas Sperlich, Vladimir Dyakonov, Serge Beaupré, Mario Leclerc, Tao Xu, Luping Yu and Oleg G. Poluektov Phys. Chem. Chem. Phys., 2013,15, 9562-9574. DOI: 10.1039/C3CP51477C, Paper

The Hydrogen Catalyst Cobaloxime: A Multifrequency EPR and DFT Study of Cobaloxime’s Electronic Structure J. Niklas, K.L. Mardis, R.R. Rakhimov, k.L. Mulfort, D. M. Tiede, O.G.Poluektov, J. Phys. Chem. B, 116(9), 2943 (2012).  

 X-ray Scattering Combined with Coordinate-based Analyses for Applications in Natural and Artificial Photosynthesis . D.M. Tiede, K.L. Mardis, X. Zuo, Photosyn Res. 102(2-3), 267 (2009).

Solution-state conformational ensemble of a hexameric porphyrin array characterized using molecular dynamics and X-ray scattering. Mardis, K. L.; Sutton, H.; Zuo, X.; Lindsey, J.; Tiede, D. M. J. Phys. Chem. A 2009, 113(11), 2516.

Can configuration entropy losses be predicted form the binding affinities of hydrogen-bonded complexes with varying numbers of single bonds? Mardis, K. L. J. Phys. Chem. 2006, 110(2), 971. 


American Chemical Society

Council of Undergraduate Research

Recent Grants and Funding

2014, PI, NSF S-STEM -$611,692, "Increasing Chemistry and Physics Graduates at Chicago State University"

2012, PI, Illinois Space Grant Consortium-$10,000-"Developing a Neural Network for Solar Cell Design"

2012, Co-PI, CTRE -$10,000-"Increasing the Motivation and Preparation for the Graduate School Application Process"

2008, Co-PI, DOD-ARL – $1,400,000 – “Development of flexible solar cell for man-portable power generator”

2008, PI, NIH-SCORE - $239,000 - "Effects of conformational changes on cytochrome c7"