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Date: Sat Dec 2 14:29:21 2017
Subject: 17.12.02 Two postdoctoral and two PhD positions funded by ERC, development of reliable methods for molecular solids, Prague, Czech Republic
Two postdoc positions and two PhD positions are available at the Charles 
University, Prague in the group of Dr. Jiri Klimes. The positions 
are funded by the ERC within the project APES -- Accuracy and precision 
for molecular solids. The project aims at developing methods for reliable 
predictions of properties of molecular solids and related systems. 
In the project we will develop methods with increased accuracy and reduced
computational cost. We will also develop ways for assuring the results
are correct and reproducible. All the positions involve a mixture 
of theoretical developments and applications to systems relevant 
in the nature and industries.


It is currently extremely difficult to obtain highly accurate binding 
energies and related properties of molecular solids. The first postdoc 
will develop a scheme for this task. In this part, we will mostly use 
quantum chemistry codes such as Molpro and Turbomole. The other postdoc 
position will initially involve a mixture of analytic derivations and RPA 
calculations in VASP. The goal here is to develop techniques that will 
reduce the computational cost and will make the methods more user-friendly.

The postdoc candidates should hold a PhD in Physics, Chemistry, or related
discipline. Experience with coupled cluster calculations in quantum 
chemistry packages is essential for the first position. The initial gross 
salary will be 40.000 CZK/month (about 1200 EUR/month netto initially).


When making predictions of properties of molecular solids using currently 
widely used methods, we often find a disagreement between the simulation 
and experiment. There is little understanding of what is wrong. The first 
PhD will develop ways to understand why many current methods, 
such as density functional theory functionals, fail and why they sometimes
work. However, we also find sometimes that results published 
in the literature do not agree with each other. The second PhD will focus 
on developing ways how to make sure that our results are reliable. 
In both PhD projects, we will apply the schemes to challenging systems.

The applicants for PhD should have, or expect to obtain, a degree 
in Physics, Chemistry, or closely related discipline and have a strong 
academic record. The PhD positions will start at October 2018 and offer 
a stipend/pay starting at 20.000 CZK/month (netto).


To apply, send your CV, cover letter, list of publications and conference
presentations, and contacts of two references to Dr. Jiri Klimes
(klimes (at) Applicants for PhD also include 
your study transcripts. More information about the positions and ongoing 
work in the group is available at .

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