Computational Scientist - Hiring in process/Finished, not possible to apply

Your team
The macromolecular crystallography (MX) group is responsible for the two beamlines BioMAX and MicroMAX and the fragment screening facility FragMAX, supporting structural biology research aiming at understanding biology at a molecular level with applications in drug development and biotechnology.

BioMAX is in user operation since 2017 with world class performance thanks to the high-performance optics, experiment setup instrumentation, control system and computing resources. BioMAX is in particular used for high-throughput MX but is also for microfocus applications, phasing experiments and room-temperature crystallography. It has also developed a program in serial crystallography and time-resolved experiments. MicroMAX is designed to be flexible both in terms of optics and experiment setup. It is focusing on serial crystallography and time-resolved experiments but will also provide for example high-throughput structure determinations. MicroMAX is expecting first users in 2023.

BioMAX and MicroMAX use MXCuBE (https://github.com/mxcube) for users to control their experiments. When collection experiments start, MXCuBE triggers data analysis and processing pipelines, which uses the EDNA framework (https://github.com/olofsvensson/edna2 ). The processing results as well as information on samples and data collections are stored and managed in a LIMS system, ISPyB (https://github.com/ispyb).
The international and interdisciplinary MX group consists of around 15 persons.

Would you like to work at one of the brightest lightsources in the world?

MAX IV is looking for a computational scientist to develop the data analysis and processing workflows for MicroMAX.

Your main work tasks will be

• Your tasks will include design, programming and testing the data analysis framework for new experiment methods and setups for the macromolecular crystallography activities at MAX IV, as well as maintaining and adapting these.
• Initially your focus will be on different data analysis and processing pipelines for the MicroMAX beamline, in particular for serial crystallography techniques. The pipelines that are based on existing software need to be interfaced with the beamline control software and laboratory information management system (LIMS). You will contribute to design and develop the presentation of the processing results, including plots and graphics. Support during experiments will also be an important aspect of your work.
• You will develop the data analysis framework for MicroMAX in close collaboration with colleagues in the MX group and in the scientific software and controls groups. We collaborate with groups at other facilities and user groups. Interaction with these will also be important.
• New detectors can continuously acquire data at kilohertz frame rates, and as most experiments require on-the-fly data analysis for immediate feedback your tasks will also include interacting with the developments in experiment control, data acquisition and high-performance computing infrastructure.
• Depending on competence, your interest and the needs of the beamline, the tasks will also include user support and involvement in other beamline development projects.

To be successful in this role you need to have the following qualifications

• Either (1) a software engineering degree or (2) documented computer skills and experience in macromolecular crystallography
• Experience with Python and / or C/C++
• Experience in developing scientific software
• Working knowledge of Linux systems and tools
• Interest in working on all project levels of a software project (design, development, testing, deployment, and maintenance) and knowledge of collaborative software development
• Ability to cooperate and work in a team, but also an ability to work independently
• Good communication skills, and an excellent command of English, both oral and written

Below are seen as merits

• PhD in a relevant area (structural biology, bioinformatics, computer science or physical science preferred)
• Knowledge of macromolecular crystallography
• Work experience from a synchrotron beamline
• Experience of handling large amounts of data, such as resulting from scientific experiments
• Experience with high-performance computing (for example knowledge of MPI / Open MPI, SLURM, ZMQ)
• Knowledge of web development and database management
• Knowledge of FPGA or GPU programming

As a person you are good team member but also autonomous, creative, performance oriented, structured

What we offer
When you join our MAX IV team, you step into a world of front edge science. We make the invisible visible by supporting scientist from all over the world, generating scientific results for the benefit of society. We offer you a multicultural work environment with great opportunities for personal development with respect for a healthy work-life balance.

Would you like to work in a challenging and supporting environment? Then join us and take the opportunity to make a real difference!

For further information, please visit:
https://www.lunduniversity.lu.se/about-lund-university/work-lund-university
www.sweden.se
https://www.maxiv.lu.se/about-us/careerjobs/comp_and_benefits/

Probationary period may apply.