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 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 lattice 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.

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 competitive
stipend.

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