Postdoctoral position available immediately in the group of Prof. Noam Agmon, the Hebrew University of Jerusalem, Israel.
Subject: Simulations of Proton Mobility in Water and in Complex Environments.
Description: Protons play a pivotal role in diverse fields, such as acid-base chemistry, environmental science and hydrogen fuel cells. Recently, progress has been made in elucidating the molecular detail of proton mobility in water, that involve elementary events on a hierarchy of timescales, e.g. Markovitch et al., J. Phys. Chem. B 112 :9456-9466, 2008.
Yet, the precise nature of the many-molecule rearrangement that encourages proton motion from one water molecule to its neighboring one remain elusive. Even less is understood on the behavior of protons in more complex environments, such as interfaces, mixed solvents and porous media.
The present project will utilize Empirical Valence Bond and other simulation methodologies (in collaboration with Prof. Greg Voth from UChicago), in conjunction with novel analysis methodologies, to gain insight into the many-body aspects of proton and hydroxide mobility in water and their ultimate diffusive motion.
Requirements: Programming capabilities (Fortran or C++), Experience with molecular simulations.
Contact:
Prof. Noam Agmon
Department of Chemistry
The Hebrew Univ of Jerusalem
[log in to unmask]
URL: http://www.fh.huji.ac.il/~agmon/
To join or leave the molecular-dynamics-news email list, go to:
http://www.jiscmail.ac.uk/lists/molecular-dynamics-news.html
|