Postdoctoral Fellow for Molecular Modeling and Bioinformatic Group (PD/21/09)

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Created in 2005 by the Generalitat de Catalunya (Government of Catalonia) and the University of Barcelona, IRB Barcelona is a Severo Ochoa Centre of Excellence—a seal that was awarded in 2011.

The institute is devoted to conducting research of excellence in biomedicine and to transferring results to clinical practice, thus improving people’s quality of life, while simultaneously promoting the training of outstanding researchers, technology transfer, and public communication of science. Its 27 laboratories and seven core facilities address basic questions in biology and are orientated to diseases such as cancer, metastasis, Alzheimer’s, diabetes, and rare conditions.

IRB Barcelona is an international centre that hosts 400 members and 30 nationalities. It is located in the Barcelona Science Park. IRB Barcelona forms part of the Barcelona Institute of Science and Technology (BIST) and the “Xarxa de Centres de Recerca de Catalunya” (CERCA).

IRB Barcelona seeks a motivated Postdoctoral Researcher for the Molecular Modeling and Bioinformatic Group of the Institute for Research in Biomedicine (IRB Barcelona), under the framework of the project "Simulación Multiresolución de ácidos nucleico" (MSCOM), funded by the Spanish Research State Agency (RTI2018-096704-B-I00)”.




We are looking for a candidate to work on theoretical computational studies of macromolecules, involving programing new algorithms and scientific workflows, using all kinds of classical and quantum mechanics methods (MD, QM, QM/MM), and applying bio-statistics with trajectory data. 


Must Have – Required: 

  • PhD in Chemistry, Physics, BioChemistry, BioTechnology or similar.
  • Experience in computational Molecular Dynamics (MD) technique: simulations and analysis (Amber, GROMACS) and visualization (VMD, PyMol).
  • Experience in computational Quantum Mechanics (QM) technique: simulations and analysis (Gaussian, GAMESS).
  • Experience in High Performance Computing infrastructures: workload managers (Slurm), remote connections (ssh), file transfer (scp, rsync).
  • Experience in shell and scripting languages (Bash, CSH, Perl, Python).
  • Fluent English and good teamwork skills.
  • Excellent Linux OS skills.  

  • Skills on membrane proteins simulation.
  • Skills on biomolecular workflow development and High Throughput (HT) techniques.
  • Participation on international conferences.


  • Working conditions: Employed in compliance with Spanish legislation and regulations under a full-time contract. Employees receive the benefits of the Spanish Social Security system covering sickness, maternity/paternity leaves and injuries at work.
  • Training and Career: Postdoctoral researchers joining IRB Barcelona gain access to the Institute’s advanced research training and career development opportunities, all within in a competitive international environment. Courses and workshops on themes of particular interest to postdocs are offered regularly by the Institute.
  • International environment: Nearly 90 Postdoctoral researchers (more than a half non-Spanish nationals) are currently working at IRB Barcelona.




  • Deadline for applications: 18/05/2021 (If no suitable candidate is found, the deadline will be extended) 
  • Number of positions available: 1
  • Selection process:
    • Pre-selection: Will be based on CV, motivation letter, experience, management of research and innovation. 
    • Interviews: Short-listed candidates will be interviewed.
    • Job offer: Will be sent to the successful candidate after the interview. 

Note: The strengths and weaknesses of the applications will be provided upon request.

'If you, as an applicant, have any suggestion or wish to make a complaint regarding the selection process, please contact us at the following email address: You will receive a response within a month.'


Or, know someone who would be a perfect fit? Let them know!


IRB Barcelona - Institute for Research in Biomedicine
08028 Barcelona Directions +34 93 402 02 50 View page


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