Postdoc position, McGill university: electronic structure methods for nanoscale simulations

Rustam rusta... at gmail.com
Thu Dec 17 22:27:31 CET 2015


We would like to invite applications for a postdoctoral position in the 
area of nanoscale ab initio simulations. The program focuses on the:

* *development* of new electronic structure methods for molecular dynamics 
simulations in the ground and excited electronic states,
* *implementation* of the new methods in the massively-parallel CP2K 
simulation package, and
* subsequent *application* of the new simulation tools to study basic 
energy conversion processes in nanomaterials.

Candidates (with a Ph.D. degree in physics, computer science, applied 
mathematics, materials science, chemistry, or a related discipline) are 
expected to demonstrate solid knowledge of electronic structure theory 
(e.g. DFT), parallel programming (e.g. C++/MPI), and optimization 
techniques (e.g. PCG).

Research in our group <http://www.khaliullin.com/> is broadly 
interdisciplinary: we utilize methods of quantum and statistical mechanics, 
modern tools of applied mathematics and recent achievements in 
high-performance computing to make impact in the fields of chemistry and 
materials science. The group is a part of the Department of Chemistry 
<https://www.mcgill.ca/chemistry/home> in McGill University 
<https://en.wikipedia.org/wiki/McGill_University>. McGill, consistently ranked 
among the top global universities 
<https://www.timeshighereducation.com/world-university-rankings/2015/world-ranking#!/page/0/length/50> (#24-39 
in 2015), is located in Downtown Montreal 
<https://en.wikipedia.org/wiki/Montreal> - one of the most vibrant 
scientific, cultural, industrial and economic centers in North America.

Please send your application with a CV to Prof. Rustam Khaliullin at 
appl... at khaliullin.com
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