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Software Scientist for Electronic Structure Code ... (No replies)

seko
3 years ago
seko 3 years ago

We are seeking a motivated, excellent Software Developer with strong skills in electronic-structure methods, atomistic simulations, and scientific-software development to help advance the FHI-aims electronic-structure code as a primary platform for density-functional, many-body perturbation theory, and quantum chemistry calculations.

The employment is at the non-profit association MS1P with an office either at the NOMAD Laboratory at the Fritz Haber Institute of the Max Planck Society in Berlin (Matthias Scheffler) or the Duke University in North Carolina (Volker Blum). The offered position is a 2–year full-time position at the level of a German TVöD E13 or 14 contract with the possibility of extension.

About FHI-aims

FHI-aims is an efficient, high-precision all-electron electronic-structure package with a broad community of users and developers both in academia and industry. Ongoing developments cover essentially all current directions in electronic-structure theory (see https://th.fhi-berlin.mpg.de/meetings/FHI-aims-2020/index.php?n=Meeting.Program), and the code runs efficiently on platforms from laptops to all current major high-performance architectures.

Responsibilities

You will work in the center of the code, assisting with new releases, issues related to code stability, usability, and performance, and help with integrating contributions from other developers. Help with integrating FHI-aims with the broader ecosystem of open-source software developments surrounding electronic structure theory is additionally expected. Furthermore, your responsibilities will include the work with end-users of FHI-aims, particularly in industry, on issues related to their use of FHI-aims.

Benefits

You will be embedded in a larger team working on developments such as massive parallelism (CPU and GPU), exascale computing, as well as advanced electronic-structure methods (GW, coupled-cluster theory for solids, QM/MM, and more), a graphical user interface, and workflows facilitated by external frameworks (e.g. ASE, Fireworks). All technical, methodological, and scientific contributions to FHI-aims are intended to be publishable and the ability to assist with and/or lead such publications is expected.

Qualifications

Particularly desirable experience includes:

  • Fortran, C, C++, and python
  • high-performance computing and parallel programming
  • experience with current software development practices (e.g., git, CMake, continuous integration)
  • experience with emerging high-performance architectures including GPUs

A good background in quantum mechanics of the condensed phase, including density-functional theory and many-body methods for molecules, nanosystems, and solids, is essential.

How to apply

Your application must include in one pdf file:

  • A cover letter describing your motivation for applying (max. 1 page)
  • A CV with a complete description of your academic career and relevant skills (including a description of your programming experience)
  • Contact details of two potential referees
  • Your degree certificate(s)

Please send your application to Cordelia Arndt-Sullivan: [email protected]




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Ab initio (from electronic structure) calculation of complex processes in materials