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Date: Sat Jul 14 18:27:41 2018
Subject: 18.07.14 Postdoc Position in Molecular Simulation at the University of Guelph, in Guelph Ontario Canada
A Postdoctoral Fellow position is available in a project funded by the
Natural Sciences and Engineering Research Council of Canada (NSERC)
studying CO2 sequestration by means of reactive absorption using 
molecular simulation methodology.  This is a joint project with researchers
at Un. Clermont Auvergne in Clermont-Ferrand France. 

The position is for a period of one year starting January 2019 or earlier under the 
supervision of Professor William R. Smith at the University of Guelph (UoG), 
in Guelph Ontario Canada (, with extension to a 
second year depending on satisfactory performance.  The UoG is a leading 
Canadian research university located in the heart of southwestern Ontario, 
about 90 km west of Toronto in the city of Guelph, population of 131,794 
(as of 2016).

The project's goal is to discover new solvents from families of water/organic mixtures 
with enhanced CO2 solubility properties in comparison with those currently used. 
This will involve developing new force-field based methodology to predict the 
speciation and thermodynamic properties of the systems involved. The CO2 
sequestration process model will entail a combination of phase equilibrium between 
the liquid and vapour phases, and multiple chemical reaction equilibria in the 
absorbing liquid phase.  The simulation techniques will involve a combination of 
Molecular Dynamics and Monte Carlo simulation algorithms, including Gibbs Ensemble, 
grand canonical, and reaction ensemble simulations (Professor Smith invented the 
Reaction Ensemble Monte Carlo simulation algorithm).  

Further information about the project is available at

Desired Skills and Experience:
The candidate must have completed their PhD in 2014 or later (this is a firm requirement) and 
have the following skills:
- Experience with force-field based molecular simulation methodology, including Molecular Dynamics 
  (e.g., GROMACS), Monte Carlo (e.g., Cassandra), and Electronic Structure (e.g., Gaussian)
- Strong background in chemical thermodynamics
- Strong competency with FORTRAN, Linux, Windows
- Good English communication skills 
- Experience with force field development is desirable
By email to Professor Smith at, with: 
- a paragraph expressing your reasons for interest in the position
- a CV 
- a list of 3 referee names and contact information.
- your availability date to start the position
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