Temporary contract | 30 months | Belval
Are you passionate about research? So are we! Come and join us
The 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: https://www.list.lu/
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 protocols
Conduct large-scale MD simulations on supercomputers and HPC clusters
Analyse simulation results and compare them with experiments
Is 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.
Education
PhD in materials science or related discipline
Experience and skills
Experience in developing MLIPs, including good programming skills in Python and C, demonstrated via contributions to code repositories
Experience with large-scale MD simulations, ideally with LAMMPS, demonstrated via corresponding roles in publications
Experience with density functional theory (DFT) calculations, ideally with VASP, demonstrated via corresponding roles in publications
A solid, relevant, and impactful publication record
A friendly, motivated, positive, hands-on, initiative-taking, collaborative attitude and demeanour
Language skills
Good level both written and spoken English
Your LIST benefits
An organization with a passion for impact and strong RDI partnerships in Luxembourg and Europe that works on responsible and independent research projects
Sustainable by design, empowering our belief that we play an essential role in paving the way to a green society
Innovative infrastructures and exceptional labs occupying more than 5,000 square metres, including innovations in all that we do
An environment encouraging curiosity, innovation and entrepreneurship in all areas
Personalized learning programme to foster our staff’s soft and technical skills
Multicultural and international work environment with more than 50 nationalities represented in our workforce
Diverse and inclusive work environment empowering our people to fulfil their personal and professional ambitions
Gender-friendly environment with multiple actions to attract, develop and retain women in science
32 days’ paid annual leave, 11 public holidays, 13-month salary, statutory health insurance
Flexible working hours, home working policy and access to lunch vouchers
Apply online
Your 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 references
Please apply ONLINE formally through the HR system. Applications by email will not be considered.
Application procedure and conditions
We 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.