Science 4 Refugees

Postdoc - Application of novel HPC QM/MM approaches to biological relevant systems

This job offer has expired

    Forschungszentrum Jülich
    Recognised Researcher (R2)
    Established Researcher (R3)
    31/01/2020 00:00 - Europe/Brussels
    Germany › Jülich
    To be defined

Work group:

INM-9 - Computational Biomedicine

Area of research:

Scientific / postdoctoral posts

Job description:

The Institute of Computational Biomedicine IAS-5/INM-9 at the Jülich Research Center www.fz-juelich.de/ias/ias-5/EN uses and develops high performance computing-based multiscale approaches to investigate key molecular events for neuronal function and dysfunction. IAS-5/INM-9 is also part of relevant European initiatives like the joint doctorate program STIMULATE www.stimulate-ejd.eu and the Center of Excellence BioExcel bioexcel.eu for provision of support to academic and industrial researchers in the use of high-performance computing and high-throughput computing in biomolecular research. In fact, with the advent of exascale HPC platforms, multiscale simulations and enhanced sampling calculations will lead on the one hand to describe accurately realistic biological systems in biologically relevant timescale and on the other hand will lead to high-throughput of molecular data. Multiscale approaches, such as the quantum mechanical/molecular mechanics (QM/MM) one, represent one of the most powerful tools to describe a variety of biological events that involve quantum mechanics. These include enzymatic reactions, photochemical processes, proton transfer phenomena and so on. In this context and within the framework of BioExcel, novel QM/MM interfaces are currently under development, which coupled state-of-the-art HPC quantum codes, such as CP2K and CPMD with the GROMACS software as the force field-based molecular dynamics engine.

Your Job:

  • Modeling and characterization at molecular level of selected biological processes by performing classical molecular dynamics and QM/MM simulations, and employing enhanced sampling methods based on the novel HPC interfaces developed within the BioExcel framework
  • Submission of computational projects in order to obtain the required computational resources
  • Engage in the international BioExcel community
  • Contributions to workshops and training activities
  • This position offers you the chance to contribute to an international research project, publish in international journals and present results at international meetings and conferences

Your Profile:

  • Completed study in physics, theoretical chemistry or a related field including a doctoral degree
  • Strong background in electronic structure calculations, statistical mechanics and molecular dynamics
  • Practical experience with the CP2K and/or the CPMD code
  • Demonstrated scientific track record (publications, conference participations)
  • Expertise in QM/MM approaches is of clear advantage
  • Experience with Linux-based systems and high performance computing
  • Ability to work independently as well as collaboratively in an international, interdisciplinary team across Europe
  • Very good communication and organizational skills
  • Fluent command of English language in written and spoken form

Our Offer:

  • Exciting working environment on an attractive research campus with excellent infrastructure, located between the cities of Cologne, Düsseldorf, and Aachen
  • Outstanding research and computing infrastructures in one of Europe’s largest supercomputing facilities
  • Further development of own scientific profile through a strong international network
  • Opportunities of being part of an international scientific community
  • Participation in national and international conferences and workshops
  • A comprehensive further training programme
  • Flexible working hours and various opportunities to reconcile work and private life
  • Limited for 2 years with possible longer-term prospects
  • Full-time position with the option of slightly reduced working hours
  • Salary and social benefits in conformity with the provisions of the Collective Agreement for the Civil Service (TVöD). Depending on the applicant`s qualifications and the precise nature of the tasks, salary grade 13 TVöD-Bund

Forschungszentrum Jülich promotes equal opportunities and diversity in its employment relations.We also welcome applications from disabled persons.

Work location(s)
1 position(s) available at
Forschungszentrum Jülich

EURAXESS offer ID: 470139
Posting organisation offer ID: 2019-439


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