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Date: Fri Sep 30 11:42:51 2016
Subject: 16.09.30 Computational Chemistry or Chemical Engineering Postdoc and Graduate Students, University of Guelph, Canada
Postdoctoral and Graduate Student positions are available starting 
January 2017 in a project whose goal is to discover new solvents 
from families of water/organic mixtures with enhanced CO2 solubility 
properties in comparison with those currently used. The project will
develop new computational methodology to quantitatively predict the 
thermodynamic properties of the systems involved.  The CO2 capture 
process model involves a combination of phase equilibrium between the 
liquid and vapour phases, and chemical reaction equilibria in 
the absorbing liquid phase.  The simulation techniques will involve 
a technically challenging combination of Monte Carlo and Molecular 
Dynamics simulation approaces, including Gibbs Ensemble, grand canonical, 
osmotic ensemble, and reaction ensemble simulations.

Further information about the project is available at
The PDF position is for 2 years, and the graduate student positions have 
guaranteed funding for 3 years. The positions are based at the 
University of Guelph, and will involve travel and conference presentation 
opportunities both domestically and internationally with collaborators in 
France and in Canadian industry.   


- PhD completion in 2012 or later
- Demonstrated experience with advanced molecular simulation methodology, 
e.g.,  Reactive MC, cavity bias, Wang-Landau sampling, alchemical chemical 
potential methods
- Strong background in chemical thermodynamics
- Strong competency with FORTRAN, Linux, Windows, MATLAB
- Good English communication skills 
- Experience with force field development is desirable

The graduate student positions require a prior degree in a relevant area, 
and a strong background in chemical thermodynamics. The research project 
can be pursued within a graduate degree program in any of Biophysics, 
Chemistry, Engineering, or Physics
Apply by email to the PI, Professor William R. Smith at bilsmith, with 
- a Covering letter addressing the above qualifications
- a Curriculum vitae
- Availability
- Recommendation letters from two referees familiar with your research 
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