Education
- Postdoctoral, Los Alamos National Laboratory, Los Alamos Theoretical Chemistry. 2002-2005
- Postdoctoral, The Scripps Research Insitute, La Jolla Molecular Biology. 1999-2002
- Ph.D., University of Delaware, Newark. Chemical Engineering. 1999
- M.S., University of Michigan, Ann Arbor. Chemical Engineering. 1994
- B.S., Indian Insitute of Technology, Madras, India. Chemical Engineering. 1992
Research Interests
We explore the physics and chemistry of aqueous systems using
statistical mechanical theory and computer simulations. We are
currently developing theory and simulation approaches to describe
metal-protein interactions and the role of promoters in the formation
of natural gas-hydrates.
Selected Publications
- D. Asthagiri, S. Merchant, L. R. Pratt, “Role of
attractive methane-water interactions in the potential of mean force
between methane molecules in water”, Journal of Chemical Physics, 128, 244512, 2008.
- D. Asthagiri, H. S. Ashbaugh, A. Piryatinski, M. E. Paulaitis, L. R. Pratt, “Non-van der Waals treatment of the hydrophobic solubilities of CF4, Journal of the American Chemical Society, 129, 10133-10140, 2007.
- D. Asthagiri, L. R. Pratt, and M. E. Paulaitis, “Role of
fluctuations in the snug-fit mechanism of KcsA channel
selectivity”, Journal of Chemical Physics, 125, 024701, 2006.
- D. Asthagiri, A. Paliwal, D. Abras, M. E. Paulaitis, and A. M.
Lenhoff, “A consistent experimental and modeling approach to
light scattering studies of protein-protein interactions in
solution”, Biophysical Journal, 88, 3300-3309, 2005.
- D. Asthagiri, L. R. Pratt, J. D. Kress, “Ab initio molecular dynamics and quasichemical study of H+(aq)”, Proceedings of the National Academy of Sciences USA, 102, 6704-6708, 2005.
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