Whiting School of Engineering

The Department of Chemical and Biomolecular Engineering



Dilip Asthagiri

Assistant Professor

Phone: 410-516-3475
Office: MD 218
Email: dilipa@jhu.edu
Curriculum Vitae


  • 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]