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 study the physical chemistry of aqueous systems
using
statistical mechanical theory and computer simulations. We
are
currently developing theory and simulation approaches to understand ion
specific effects in biology, metal-protein interactions, and the role
of promoters in the formation
of natural gas-hydrates.
Selected Publications
- S. Merchant, P. D. Dixit, K. R. Dean, and D. Asthagiri, "Ion-water clusters, bulk medium effects, and ion hydration," Journal of Chemical Physics, 135, 054505, 2011
- P. D. Dixit and D. Asthagiri, "An elastic-network-based local molecular field analysis of zinc finger proteins," Journal of Physical Chemistry-B, 115, 7374-7382, 2011.
- P. D. Dixit and D. Asthagiri, "Perspectives: Thermodynamics of ion selectivity in the KcsA K+ channel," Journal of General Physiology, 137, 427-433, 2011.
- V. Weber and D. Asthagiri, "Communication: Thermodynamics of water modeled using ab initio simulations" Journal of Chemical Physics, 133, 141101, 2010. [Top downloaded article in month of October 2010.]
- S. Merchant and D. Asthagiri, "Thermodynamically
dominant hydration structures of aqueous ions," Journal of Chemical Physics,
130,
195102, 2009. [Featured in the
Virtual Journal of Biological Physics Research]
|
