Senior Computational Scientist – Materials Science

About the role

ADIA Lab, the research arm of the Abu Dhabi Investment Authority, is establishing a new Materials Sciences research group. The Senior Computational Scientist will lead this effort, shaping a world‑class program that uses computational modelling and data‑driven discovery to accelerate breakthroughs in energy, sustainability and advanced technologies.

Key responsibilities

• Establish and lead a new Materials Sciences research group focused on multiscale modelling, quantum‑to‑continuum simulations and AI‑assisted materials design.
• Drive cross‑disciplinary projects that combine physics‑based modelling, data science and high‑performance computing to address grand challenges in energy, climate and technology.
• Build and coordinate a collaborative international research network, fostering partnerships with universities, laboratories and industry.
• Publish high‑impact research, contribute to white papers and represent ADIA Lab at leading conferences.
• Mentor junior scientists, post‑doctoral fellows and students, nurturing the next generation of computational materials leaders.

Required profile

• PhD in materials science, physics, chemistry, computational science, applied mathematics or a related field.
• Minimum 6 years post‑PhD experience in computational materials research or data‑driven materials design.
• Proven record of leading a research group or major project in computational or data‑driven materials science.
• Strong publication record and recognized contributions to the international materials science community.

Required skills

• Python, C/C++, Fortran programming.
• Git, Linux, LaTeX.
• Density Functional Theory (DFT) and molecular dynamics simulations.
• High‑performance computing, parallel programming and workflow automation.
• Machine learning for materials discovery and familiarity with materials informatics platforms such as Materials Project, NOMAD or AiiDA.