Postdoc, Computational Paramagnetic NMR Spectroscopy

Brno, Czech Republic
07 Jan 2021
End of advertisement period
01 Mar 2021
Contract Type
Full Time

Department Radek Marek Research GroupCentral European Institute of Technology
Deadline 1 Mar 2021
Start date negotiable

The Director of Central European Institute of Technology (CEITEC MU) opens a position POSTDOC – Computational Paramagnetic NMR Spectroscopy

CEITEC is a scientific center in the fields of life sciences, advanced materials and technologies whose aim is to establish itself as a recognized center for basic as well as applied research. CEITEC offers a state-of-the-art infrastructure and great conditions to employ excellent researchers.

Our institute values diversity and promotes an inclusive working environment with the aim to support the best scientists. CEITEC MU is a proud holder of the HR Excellence in Research Award by the European Commission (

A postdoc position is available in the Marek lab (CEITEC, Masaryk University, Brno, Czechia) to participate in theoretical research focused on relativistic effects in Paramagnetic NMR Spectroscopy. We are seeking a person with expertise in theoretical and computational chemistry to analyze hyperfine contributions to NMR shifts in paramagnetic molecules and supramolecular systems.

Research will be conducted at CEITEC located in the Masaryk University campus (Brno, Bohunice,

Description of project

Paramagnetic NMR spectroscopy is an indispensable spectroscopic tool to analyze paramagnetic molecules, supramolecules, clusters, and materials. However, interpretation of the experimental pNMR data is not straightforward and various theoretical methods are frequently used for this purpose. In this project, EPR and NMR parameters of heavy-element systems will be calculated and interpreted in terms of molecular spin density and theory of molecular orbitals. The four-component relativistic DFT calculations complemented by various analytical tools will be used to predict and analyze individual terms contributing to paramagnetic NMR shifts for 5d transition-metal compounds.    

Prospective candidates should fulfill the following criteria

  • PhD in physical/theoretical/computational chemistry or molecular/theoretical physics
  • High knowledge of quantum mechanics and theoretical spectroscopy
  • Expertise in applied computational chemistry
  • Published in impactful journals in the field, corresponding to given stage of career demonstrating creativity and scientific quality
  • Good English language – spoken and written

Desirable but not required

  • Specialization in density-functional theory
  • Relativistic quantum mechanics
  • Knowledge of NMR spectroscopy
  • Motivated person with collaborative mind set
  • Willingness to engage in the life of academic community

What we offer?

  • Interesting position in a dynamically expanding research institute
  • An attractive salary and benefits package (6 weeks of paid holiday, meal tickets, MU canteens, retirement contribution)
  • Background of a recognized and successful institution with supportive and international working environment
  • Environment promoting interdisciplinarity and intersectorality of research In house core facilities
  • Support of administrative departments (including grant office service)
  • Support with the relocation process (welcome office service)

Anticipated start date: September-October 2021 or upon agreement

Application including CV, a motivation letter highlighting a synergy between the applicant and host, a list of publications, a scanned copy of the PhD diploma or an official letter certifying submission of a doctoral thesis for thesis defense and the planned defense date, and contacts for at least two referees should be sent by e-application available on

In case of any troubles with filling the e-application, please contact the contact person.

Contact person:

Electronic application deadline is March 1, 2020. Shortlisted candidates will be invited for interview by the Recruitment Committee.

Information about Brno, Czech Republic

  • The capital of South Moravian Region and the second largest city in the Czech Republic with a population of almost 400,000 people
  • Modern, dynamic and fast-growing center of industry, trade, science, research  and innovation with business incubators and centers of excellence in science
  • A city of universities with more than 86,000 students
  • More than 10,000 researchers; 2,200 IF publications/year; 600+ PhD graduates/year
  • 500 mil. EUR of R&D investment per year, more than 350 companies with in-house R&D City of Gregor Mendel, the founder of genetics; the prestigious Mendel Lectures series takes place in Brno since 2003 (lectures of the world´s top scientists, including Nobel Prize winners)
  • Quality of life index in 2016

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