PhD position in theoretical chemistry

A Ph.D. position (funded by the Czech Science Foundation grant) is available in the junior research group of Jana Pavlíková Přecechtělová, Ph.D., Department of Biophysics and Physical Chemistry, Faculty of Pharmacy, Charles University in Hradec Králové, Czech Republic. The group is looking for a motivated candidate who seeks an opportunity to implement a project in the field of theoretical/computational chemistry. The current research focus of the group is on the calculation and prediction of NMR spectroscopy parameters of intrinsically disordered proteins involved in the molecular mechanisms of neurodegenerative diseases. We strive to combine quantum chemistry calculations and software-aided predictions of NMR chemical shifts in order to facilitate the structural characterization of phosphorylated intrinsically disordered proteins using experimental data.

The applicant can choose one or more project subtasks: (1) molecular dynamics simulations of oligopeptides, (2) quantum chemistry calculations of NMR chemical shifts, (3) design of NMR chemical shift databases, (4) development of a software tool for the chemical shift prediction


  • master's degree (or equivalent) in chemistry, physics, pharmacy, bioinformatics or related fields (the candidate must hold the degree no later than in June 2019)

  • the student is expected to enroll in the doctoral study program at Charles University

  • keen interest in computational chemistry and NMR spectroscopy

  • willingness to learn programming and Linux shell scripting

  • fluency in spoken and written English, solid scientific writing skills

  • team spirit, willingness to share knowledge with students and colleagues

  • reliable work ethic, ability to work independently

  • age below 35 years (requirement of the grant provider)

We offer

  • Ph.D. scholarship + 0.5 FTE work contract at the Faculty of Pharmacy, Charles University

  • hands-on involvement in interdisciplinary project work

  • personal approach and supervision towards scientific maturity

  • broad network of contacts to theoretical chemistry groups in Germany, UK, Spain, the Netherlands, Canada, and USA

  • collaboration with NMR experimentalists and computational chemistry groups at Masaryk University, Brno, Czech Republic

In case of interest, send an application including the motivation letter (max 1 page), CV, copies of degree certificates, contact details of 2 academic references, and, ideally, a sample of a written output (e.g. M.Sc. thesis, research paper etc.) to Tato e-mailová adresa je chráněna před spamboty. Pro její zobrazení musíte mít povolen Javascript.. The position remains open until it is filled.