• Performing quantum mechanical and ML-based simulations to determine CO2 adsorption energies
• Application of self-consistent continuum solvation models to account for solvation effects
• Collaborating with peers including experimental project partners
• Publishing results in academic and peer-reviewed journals
• Presenting results at scientific meetings

• Completed university studies (Master/Diploma) in the field of Chemistry, Physics, Computer Science or related field
• Knowledge of Density Functional Theory (DFT)
• Familiarity with artificial intelligence methods
• Good knowledge of electronic structure methods
• Experience with Linux, Git and related tools
• Knowledge in the field of high-performance computing
• Strong motivation to work in a collaborative environment
• Excellent communication skills in English and in a professional context

• A vibrant research community in an open, diverse and international work environment
• Scientific excellence and extensive professional networking opportunities
• A structured PhD program with a comprehensive range of continuing education and networking opportunities - more information about the PhD program at the HZDR can be found here
• Salary and social benefits in accordance with the collective agreement for the public sector (TVöD-Bund) including 30 days of paid holiday leave, company pension scheme (VBL)
• We support a good work-life balance with the possibility of part-time employment, mobile working and flexible working hours
• Numerous company health management offerings
• Employee discounts with well-known providers via the platform Corporate Benefits
• An employer subsidy for the "Deutschland-Ticket Jobticket"

We look forward to receiving your application documents (including cover letter, CV, diplomas/transcripts, etc.), which you can submit via our online-applicationsystem: https://www.hzdr.de/db/Cms?pNid=490&pLang=en&pOid=76687