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To: jobs at ccl.net
Date: Sat Dec 2 01:33:56 2023
Subject: 23.12.01 Postdoctoral and PhD positions in computational quantum chemistry (relativistic structure and spectroscopy), CEITEC Masaryk University (Czechia)
Two postdoctoral and PhD positions are available at the Central European 
Institute of Technology, Masaryk University, Czechia, supervised 
by Prof. Radek Marek to study theoretically the structure and spectroscopic
properties of heavy-element compounds, supramolecular assemblies, 
and materials.
 
PROJECT DESCRIPTION

Impressive advances in the relativistic calculations of heavy-element 
systems have opened new perspectives for studies of structure 
and properties of molecules and materials. The present projects 
are devoted to studying theoretically the relativistic electronic 
structure, bonding, EPR and NMR characteristics, and developing chemical 
concepts in heavy-element compounds. One project will focus on prediction 
and interpretation of NMR spectra of paramagnetic (open-shell) materials. 
The projects will be conducted in close collaboration 
with the experimentalists.

WE OFFER

We offer a competitive salary as well as a vibrant, inspiring environment 
with cutting-edge resources and research with high-profile 
interdisciplinary collaborations. Funding for participation at conferences 
and research stays at collaborating institutions is also available.  

WE REQUEST

Postdoc position: The candidate must hold an excellent PhD and MSc degree 
in chemistry (theoretical or computational), interdisciplinary natural 
sciences, physics, or related, and have profound English and autonomous 
learning ability skills. The successful candidate will be highly creative, 
motivated, and able to work independently. Experience in QM calculations 
is essential.

PhD position: The candidate must hold an excellent MSc degree in chemistry 
(theoretical or computational), interdisciplinary natural sciences, 
physics, or related, and have profound English and autonomous learning 
ability skills. The successful candidate will be creative, ambitious, 
and motivated. Very good knowledge of physical chemistry, 
quantum chemistry, and NMR spectroscopy is an advantage.

FURTHER INFORMATION

For further information, please refer to recent publications, e.g.,
- Vicha et al.: Relativistic Heavy-Neighbor-Atom Effects on NMR Shifts: 
Concepts and Trends Across the Periodic Table, Chem. Rev. 2020, 120, 7065 
(10.1021/acs.chemrev.9b00785).
- Cuyacot et al.: Relativistic SpinOrbit Electronegativity 
and the Chemical Bond Between a Heavy Atom and a Light Atom. 
Chem. Eur. J. 2022, 28, e202200277 (10.1002/chem.202200277).
- Novotny et al.: Crystal and Substituent Effects on Paramagnetic NMR 
Shifts in Transition-Metal Complexes, Inorg. Chem. 2021, 60, 9368 
(10.1021/acs.inorgchem.1c00204).
- Pikulova et al.: Quadratic SpinOrbit Mechanism of the Electronic 
g-Tensor, J. Chem. Theory Comput. 2023, 19, 1765 
(10.1021/acs.jctc.2c01213).
- Novotny et al.: Flipping hosts in hyperfine fields of paramagnetic 
guests, Cell Rep. Phys. Sci. 2023, 4, 101461 (10.1016/j.xcrp.2023.101461).
APPLICATIONS

Applications (as one PDF document) should be sent to Prof. Radek Marek 
(radek.marek!A!ceitec.muni.cz) and include a motivation letter, 
a curriculum vitae, a list of publications, transcripts of degree 
certificates, and the contact details of at least two referees. 
The pdf can also include a one-page statement discussing one 
or two publications of the group with respect to what the applicant 
finds particularly interesting and what could be possible improvement 
of the research described in the publication(s).

Only the best candidates for the advertised positions will be contacted 
for the next selection round.

Applications will be examined until the positions are filled. 
Start date: by agreement.
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Modified: Sat Dec 2 06:33:56 2023 GMT
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