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Date: Wed Apr 24 15:13:23 2019
Subject: 19.04.24 Postdoc in multi-scale modelling at University of Calgary, AB, Canada
Postdoctoral Position with Dennis Salahub group, Department of Chemistry, CMS-Centre
for Molecular Simulation, Institute for Quantum Science and Technology, Quantum 
Alberta, University of Calgary, Canada

A postdoctoral position is available immediately or within the year in the Salahub group at
the University of Calgary ( ) . 

The position is in the general area of theoretical chemistry and may involve the 
development of multiscale-modeling methodologies related to the deMon   software 
( and applications to either biochemical reactivity or 
nanocatalytic upgrading of heavy oil. Collaboration with the Sergei Noskov group at the 
CMS would be desirable. Possibilities include a collaborative project aimed at developing
enhanced QM/MM free energy simulation techniques, approaches to reveal complex 
free energy surfaces from quantum or QM/MM simulations, with application to studies of
selective ion transport across biological membranes. The project may involve 
methodology development in areas spanning from the implementation of new 
density functionals in deMon2k, improvements of sampling algorithms and methods to 
reveal both energetics/kinetics of enzymatic reactions to applications that stretch the 
capabilities of current methodology (ion channels, membrane transporters, 
metalloenzymes, inorganic (transition-metal, lanthanide) nanocatalysis).   

Candidates should have a Ph.D. in theoretical/computational chemistry or a related field,
with demonstrated strength in the areas of chemical physics, biophysics, biochemistry, 
physical chemistry, or molecular physics to name a few areas of specialization. 
Experience with coding for applications to complex systems would be an advantage.

The University of Calgary ( is a well-recognized national and 
international leader in computational chemistry and biosciences and offers a unique 
access to a collaborative environment. The CMS ( ), 
IQIST ( ) and Quantum Alberta ( provide ample 
opportunities for collaboration across a broad range of disciplines that rely on 
computation/simulation of complex systems. Further collaboration will be available with 
the deMon Developers, a loose international consortium of researchers who are 
interested in developing the deMon software (  
Formidable computational resources are available both locally and through 
Compute Canada.

To apply, please submit a CV detailing your academic training, achievements, 
publications etc. as well as a brief cover letter explaining interest in and fit for the 
position, and contact information for three references to Professor Salahub 
(dsalahub(!) directly.

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Modified: Wed Apr 24 19:13:23 2019 GMT
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