Carleton College:
Chemistry Department



Daniela Kohen

Associate Professor of Chemistry 



B.A. Chemistry, 1990
Facultad de Ciencias Exactas y Naturales
Universidad de Buenos Aires, Argentina

Ph. D. Chemical Physics, 1995
University of Notre Dame

University of California at Irvine
Postdoctoral Fellow, 1998-99

Bell Laboratories, Lucent Technologies, 1995-97
Postdoctoral Member of Technical Staff

Contact Information:

Department of Chemistry

1 N. College Street

Northfield, MN 55123

Office: Mudd 168

Office: (507) 222-7165

FAX: (507) 222-4400


Please follow these links for more information:

Teaching Interests:

Research Interests:

Physical chemistry - I am a theoretical and computational physical chemist. I am interested in the general area of dynamics in condensed phase (how atoms and molecules move and interact when they're not by themselves). Currently, I am using atomistic simulations to understand and characterize at the molecular level how small gas molecules interact with pure CO2 on molecular sieve's pores, and how this interaction changes in the presence of other gases that are present in our atmosphere. The goal of these studies is to provide a basic understanding of the use of molecular sieves as filters to remove CO2 from the atmosphere. Other topics that interest me include the use of numerical simulations to design and interpret experiments that monitor the effect of a molecule's surroundings on the molecule's behavior and the use of mostly-classical models for electronic transitions.
Selected publications

Lindsey Madison, Henry Heitzer, Colin Russell and Daniela Kohen."Atomistic Simulations of CO2 and N2 within cage type zeolites,” Langmuir, 2011 27, 1954.

David Selassie, Disan Davis, Jayme Dahlin, Eric Feise, David S. Sholl and Daniela Kohen. "Atomistic Simulations of CO2 and N2 Diffusion in Silica Zeolites: The Impact of Pore Size and Shape,” J. Phys. Chem. C, 2008 112, 16521.

A. Goj, D. S. Sholl, E. D. Akten and D. Kohen. "Atomistic Simulations of CO2 and N2 adsorption in Silica Zeolites: The impact of pore size and shape,” J. Phys. Chem. B, 2002 106, 8367.

D. Kohen and D. J. Tannor, "Phase space approach to dissipative molecular dynamics," Adv. Chem. Phys. 2000 111, 219.

D. Kohen and C. C. Martens, "Nanoscale shock wave spectroscopy: A direct view of coherent, ultrafast bath dynamics," J. Phys. Chem. A 1999 111, 4343.

D. Kohen, F. H. Stillinger and J. C. Tully, "Model studies of nonadiabatic dynamics," J. Chem. Phys. 1998 109, 4713.


MU3C (Midwest Undergraduate Computational Chemistry Conference) Website

LACAFI (Liberal Arts College Association for Faculty Inclusion) Website


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questions/comments about this page? email Daniela Kohen