Postdoctoral Researcher - Data Software Development

Context A postdoctoral researcher position is currently open in the Scientific Computing Group at the ILL. The successful candidate will be in charge of developing a software solution for data reduction and data acquisition strategy for protein single-crystal neutron diffraction data. Such data are collected using either of two quasi-Laue diffractometers, LADI or DALI. Data from 1.5 - 2.5 Å can be obtained in order to locate individual protons or deuterons of special interest, water structures or other small molecules that can be marked with deuterium to be particularly visible. Data collection is feasible for samples with unit-cell edges ranging from 50 to ~150 Å using crystal volumes from ~0.05 to 0.5mm3, respectively. Your tasks As a member of the Scientific Computing Group, you will work closely with other groups within the Science Division at ILL, particularly the Large Scale Structures group and the scientists responsible for the LADI and DALI diffractometers. The current software used for data reduction is LAUEGEN, which is outdated and no longer maintained. We plan to extend the capabilities of our in-house software, ESMERALDA (used for the reduction of single-crystal Laue diffraction patterns in condensed matter studies), to handle the large unit cells characteristic of biological samples. ESMERALDA is an application written in Fortran 2008 that utilizes many crystallographic routines being incorporated into the CrysFML08 library (https://code.ill.fr). You will be responsible for: . Establishing workflows for data reduction/data analysis, specific to the quasi-Laue methods, to meet the scientists' requirements . Developing the code and, optionally, a specific Graphical User Interface (GUI) . Validating the software solutions . Writing the documentation . Participating in scientific experiments on LADI/DALI. You will work in a multidisciplinary, international environment, interacting with scientists, and you will be encouraged to pursue or initiate your own scientific activities. However, your main task will be to validate and deliver a robust and professional software solution for processing LADI/DALI data. Your profile . You are a highly motivated candidate with a strong interest in data analysis and solid experience in software development. . You have a PhD in Physics, Chemistry, or Life Sciences with a particular interest in experimental data handling (related in particular to crystallography) and solid computing skills. . Alternatively, you have a PhD in Computer Science with a strong interest in crystallography. . You have solid experience with Python, Fortran or C++, and good practices in software development (e.g. versioning with Git). . You are familiar with software tools for single crystal diffraction data processing (such as LAUEGEN and ESMERALDA, or equivalent software used for X-ray Laue diffraction). . Knowledge of AI and deep learning techniques would be a bonus. . You must have a sound knowledge of English and be willing to learn French (a language course will be paid for by the ILL). Further information can be obtained by contacting Stéphane ROLS, Head of the Scientific Computing Group: +33 (0)4.76.20.78.25 or rols@ill.eu ; Ralf SCHWEINS, Head of the Large Scale Structures group: +33 (0)4.76.20.70.91 or schweins@ill.eu. Please do not send your application to these addresses. What we offer Quality of life - A hub for research and technology, the city of Grenoble is ideally located in the heart of the French Alps (just 3 hours from Paris/Provence by train, 1 hour from Lyon international airport and 1 ½ hours from Geneva). It is important for us that our staff achieve a healthy work-life balance. We therefore offer home working (under certain conditions), generous annual paid leave entitlement and a host of other benefits that you will discover when you arrive! Prospects - We guarantee you a secure 18-month post-doctoral contract renewable for a further 6 to 18-month period. Only candidates holding a PhD obtained within the last 4 years are eligible for post-doctoral positions at ILL. Benefits - We offer generous social benefits (expatriation allowance, excellent health cover), moving and relocation assistance (under certain conditions) and an annual productivity bonus. We also offer language courses for you and your partner and subsidies for the use of public transport and the staff canteen, as well as for holidays and a variety of cultural and sports activities. Interested? Then why not take your next career step with us by applying online - preferably in English - via our career portal by 10.11.2024, quoting reference number 24/43 with a list of publications and the names of 3 referees, including one from your present work place. Please note that all applicants are subject to administrative screening (background checks). For this post, medical fitness for work under ionising radiation is required. We are committed to equal opportunities and diversity and therefore welcome applications from all suitably qualified candidates. The Institut Laue-Langevin (ILL) is based in Grenoble (France) and operates Europe's leading research facility for basic research with neutrons. United by our passion for progress and technology, we drive science and research forward every day. Together, we can pave the way for discoveries that will help to make our world a better place. www.ill.eu/careers