SD-25163 RESEARCHER IN MACHINE-LEARNING POTENTIALS FOR NANOHARDNESS SIMULATIONSApply nowView more jobsClick to discover more job opportunitiesDiscover moreSD-25163 RESEARCHER IN MACHINE-LEARNING POTENTIALS FOR NANOHARDNESS SIMULATIONSTemporary contract | 30 months | BelvalAre you passionate about research? So are we! Come and join usThe Luxembourg Institute of Science and Technology (LIST) is a Research and Technology Organization (RTO) active in the fields of materials, environment and IT. By transforming scientific knowledge into technologies, smart data and tools, LIST empowers citizens in their choices, public authorities in their decisions and businesses in their strategies.Do you want to know more about LIST? Check our website:You will be hosted in the Process Modelling, Automation and Robotisation (PROMAR) group, headed by Matthias Rupp. The group develops fundamental and technological expertise in machine learning for materials science, including data-driven accelerated simulations and experimental setups for discovering and optimising chemicals, materials, and related processes.You will collaborate with the Plasma & Vapour Deposition Processes (PLAVA) group at LIST and with our industry partner, a global leader in the development and manufacturing of hard materials, who will perform nanoindentation experiments and provide in-depth materials expertise.How will you contribute?You will model the plastic deformation of solid solutions of tungsten carbide in a cobalt binder under nanoindentation, including MD-based hardness predictions and defect analyses, to gain fundamental insights into this material and support tailoring its properties.For this, you will:Contribute to method development for ultra-fast MLIPs (Xie et al., npj Comput. Mater., 2023)Develop realistic MD simulation protocolsConduct large-scale MD simulations on supercomputers and HPC clustersAnalyse simulation results and compare them with experimentsIs Your profile described below? Are you our future colleague? Apply now!You will demonstrated expertise in developing machine-learning interatomic potentials (MLIPs) for large-scale molecular dynamics (MD) simulations of materials. Together, we will push the boundaries of ultra-fast MLIPs to simulate the nanoindentation of cemented carbides, a material of industrial relevance, in agreement with and beyond experimental nanoindentation results.EducationPhD in materials science or related disciplineExperience and skillsExperience in developing MLIPs, including good programming skills in Python and C, demonstrated via contributions to code repositoriesExperience with large-scale MD simulations, ideally with LAMMPS, demonstrated via corresponding roles in publicationsExperience with density functional theory (DFT) calculations, ideally with VASP, demonstrated via corresponding roles in publicationsA solid, relevant, and impactful publication recordA friendly, motivated, positive, hands-on, initiative-taking, collaborative attitude and demeanourLanguage skillsGood level both written and spoken EnglishYour LIST benefitsAn organization with a passion for impact and strong RDI partnerships in Luxembourg and Europe that works on responsible and independent research projectsSustainable by design, empowering our belief that we play an essential role in paving the way to a green societyInnovative infrastructures and exceptional labs occupying more than 5,000 square metres, including innovations in all that we doAn environment encouraging curiosity, innovation and entrepreneurship in all areasPersonalized learning programme to foster our staff's soft and technical skillsMulticultural and international work environment with more than 50 nationalities represented in our workforceDiverse and inclusive work environment empowering our people to fulfil their personal and professional ambitionsGender-friendly environment with multiple actions to attract, develop and retain women in science32 days' paid annual leave, 11 public holidays, 13-month salary, statutory health insuranceFlexible working hours, home working policy and access to lunch vouchersApply onlineYour application must include:A motivation letter specific to the position. The letter should detail your experience and provide factual evidence for it (e.g., specific publications, open-source code repositories).A scientific CV. It should include contact details and link to your Google Scholar profile.List of publications (and patents, if applicable)Contact details of 2 referencesPlease apply ONLINE formally through the HR system. Applications by email will not be considered.Application procedure and conditionsWe kindly request applicants to provide their nationality for statistical purposes only, as part of our commitment to promoting diversity and ensuring equal opportunities in our workforce. This information will be kept confidential and will not be used for any discriminatory purposes.LIST is dedicated to maintaining an inclusive work environment and is an equal opportunity employer. We are committed to attracting, hiring, and retaining a diverse workforce. All applicants will be considered for employment without discrimination based on national origin, race, colour, gender, sexual orientation, gender identity, marital status, religion, age, or disability.Applications will be continuously reviewed until the position is filled. An assessment committee will thoroughly evaluate applications, adhering to guidelines designed to ensure equal opportunities. The primary criteria for selection will be the alignment of the applicant's existing skills and expertise with the requirements mentioned above.REQUIREDLANGUAGESTo be considered for this position it is crucial that you have knowledge of the following languages
