Postdoctoral Position in computational design of universal molecular self-assembler


The Institute of Physics of the Czech Academy of Sciences is looking for a new colleague to participate in 5 year project “Computer Aided Design of Templated Assembling, Replication and Synthesis on Ionic Substrates”.  The project aims to computationally develop an universal molecular architecture for assembling molecular components into larger functional systems (e.g. computer circuits) on ionic substrates. Key part of the project is development of novel QM/MM simulation package integrating DFT/DFTB methods with classical force fields to streamline molecular design in anhydrous environment.


Job description

  • development of novel simulation software
  • testing of various approximations and fitting empirical parameters
  • development of high-throughput screening workflow to find optimal molecular designs
  • data analysis of computational results
  • co-supervising 2 PhD students running most of the calculations

Your profile

  • PhD in computational chemistry or solid state physics
  • good programming skills, e.g.: C/C++, Python (numpy), Fortran, GPU (OpenCL/CUDA) 
  • experience in programming of scientific simulations & knowledge of numerical math methods
  • good spoken and written English
  • initiative, creativity and ability to solve problems independently

We offer

  • opportunity to achieve a major breakthrough in nanofabrication
  • 1-year contract with possible extension till 2026 (Position is funded till 2026. Contract is prolonged after 1 year depending on the researcher's prowess)
  • work in an international and creative environment
  • active participation at international workshops and conferences
  • training and development opportunities (soft skills, language courses)
  • flexible working hours with home office possibility
  • 5 weeks of vacation + 6 sick days a year
  • plenty of opportunities for cultural and other activities in the Prague region
  • more information is available at: Why FZU?

How to apply

Contact Prokop Hapala (hapala [at] fzu [dot] cz) to discuss details of the research project.
Your formal application send to kariera [at] fzu [dot] cz by 31.1.2022 and include

  • example of your programming code (e.g. link to a git repository); This is key for evaluation
  • CV with your research experience and a list of publications
  • cover letter explaining your motivation and interests in this particular project
  • names and e-mail addresses of two established scientists who could be asked for reference

The starting date is flexible during Summer 2022. For general employment information contact  Lucie Beránková (Human Resources) (berankova [at] fzu [dot] cz).

About the Institute

The Institute of Physics of the Czech Academy of Sciences (FZU) is a public research institution specializing in fundamental and applied research in physics, especially elementary particle physics, condensed matter physics, solid state physics, optics, plasma physics and laser physics. The FZU is the largest institute of the Czech Academy of Sciences with more than 1300 employees, including a considerable number of international workers. As a public research institution, the FZU contributes to increasing the level of knowledge, the quality of education, and the use of research findings in practice.

On April 2019, the FZU has become a holder of the certificate HR Excellence in Research Award, which is awarded by the European Commission. The FZU has thus ranked among the group of prestigious European institutions having the right to use this certificate.