You will build on generative AI techniques, such as diffusion models, for example by learning from enhanced molecular simulations and conditioning with desired properties, with the aim of designing improved molecules and catalytic materials.
You will:

• Develop a gen-AI framework for inverse design of molecules and catalyst materials;
• Use quantum chemical calculations to condition generative models, such as denoising diffusion models, for property guided ligand design;
• Investigate molecular latent embedding spaces and develop tools to sample, navigate, and interpret such spaces to find molecules and materials with optimal properties;
• Present your results in international conferences and in scientific papers;
• Collaborate with AI for Chemistry group members and experimental collaborators of the HyPRO programme.

• You have a creative, curious and driven nature;
• You have a recent PhD degree in artificial intelligence with a specialization in natural science or in science, preferably in chemistry, chemical engineering, physics, engineering physics.
• Experience with geometric machine learning and/or molecular simulation is preferred;
• You have good programming skills;
• You have excellent communication skills in oral and written English;
• You have strong initiative and good time management skills.

We offer a temporary contract for 38 hours per week for the duration of 12 months. The gross monthly salary, based on 38 hours per week and dependent on relevant experience, ranges between € 3,378 - € 5,331 (scale 10). This does not include 8% holiday allowance and 8,3% year-end allowance. The UFO profile Researcher 4 is applicable. A favourable tax agreement, the ‘30% ruling’, may apply to non-Dutch applicants. The Collective Labour Agreement of Dutch Universities is applicable.
Besides the salary and a vibrant and challenging environment at Science Park we offer you multiple fringe benefits:
•    232 holiday hours per year (based on fulltime) and extra holidays between Christmas and 1 January;
•    multiple courses on topics such as leadership for academic staff;
•    multiple courses on topics such as time management, handling stress and an online learning platform with 100+ different courses;
•    7 weeks birth leave (partner leave) with 100% salary;
•    partly paid parental leave;
•    a pension at ABP for which UvA pays two third part of the contribution;
•    the possibility to follow courses to learn Dutch.
Are you curious to read more about our extensive package of secondary employment benefits? Take a look here!