PhD Position – Algorithms for efficient multiscale molecular dynamics

Work group:

INM-9 – Computational Biomedicine

Area of research:

PHD Thesis

Job description:

The Institute of Neuroscience and Medicine – Computational Biomedicine (INM-9) develops and uses computational methods going from multi-scale molecular simulations to bioinformatics and drug design to face the challenge of understanding the molecular basis of cellular (especially neuronal) signaling processes, in healthy and disease conditions.The project aims at developing efficient and highly scalable software for molecular simulations, in particular for applications to biological systems. The PhD position will be located at the INM-9 and is performed in very close cooperation with Jülich Supercomputing Center (JSC). This offers a highly cross-disciplinary environment for work and training. The work in our team requires constant validation by the experimental studies and we have access to state-of-the art computing platforms located at JSC. Your responsibility as a part of our team will be to implement new methods and algorithms in our software for multiscale molecular dynamics simulations called MiMIC ( pubs.acs.org/doi/abs/10.1021/acs.jctc.9b00093 , pubs.acs.org/doi/abs/10.1021/acs.jctc.9b00424 )

Your Job:

    •  Take part in the ongoing development of the MiMiC multiscale simulation code
    •  Implement new parallel algorithms or parallelize existing ones
    •  Port the code to GPUs
    •  Test and validate the software
    •  Benchmark your code on the supercomputers at the JSC

Your Profile:

    •  Excellent university degree (Master) in Physics, Computer Science or a related field.
    •  Basic knowledge of Unix operating system
    •  Experience with molecular simulation software
    •  Experience with C++ or Fortran programming language
    •  Knowledge at least one of the parallel computing techniques (OpenMP, MPICUDA) is desired
    •  Knowledge of Density Functional Theory or Molecular Mechanics is a plus
    •  Good spoken and written English skills
    •  Communication and teamwork skills

Our Offer:

We work on the very latest issues that impact our society and are offering you the chance to actively help in shaping the change! We offer ideal conditions for you to complete your doctoral degree:

    •  Working in a motivated and highly interdisciplinary environment
    •  Opportunities of being part of the national and international scientific community
    •  Comprehensive training courses and individual opportunities for personal and professional further development
    •  Extensive company health management
    •  Ideal conditions for balancing work and private life, as well as a family-friendly corporate policy
    • A structured doctoral degree programme for you and your supervisors with a comprehensive further training and networking package on our doctoral researchers’ platform JuDocs www.fz-juelich.de/judocs

    •  Targeted services for international employees, e.g. through our International Advisory Service

The position is initially for a fixed term of 3 years. Pay in line with 70 % of pay group 13 of the Collective Agreement for the Public Service (TVöD-Bund) and additionally 60 % of a monthly salary as special payment („Christmas bonus“). Further information on doctoral degrees at Forschungszentrum Jülich including our other locations is available at: www.fz-juelich.de/gp/Careers_Docs Forschungszentrum Jülich promotes equal opportunities and diversity in its employment relations.We also welcome applications from disabled persons.

This research center is part of the Helmholtz Association of German Research Centers. With more than 42,000 employees and an annual budget of over € 5 billion, the Helmholtz Association is Germany’s largest scientific organisation.

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