Senior Computational Scientist - Material Sciences

Abu Dhabi Investment Authority; Abu Dhabi; On-site; AED 120,000 - 200,000; Full time

Job summary

A leading research institution in Abu Dhabi is seeking a Senior Computational Scientist focused on Material Sciences. This role involves establishing a new research group, driving innovative cross-disciplinary research, and mentoring junior scientists. Candidates should hold a PhD and have over 6 years of experience in computational materials research. This is a unique opportunity to shape a world-class research program and collaborate globally in advancing computational science and materials discovery.

Benefits

Opportunity to shape research programs

Dynamic interdisciplinary team

Global network collaboration

Qualifications

• Minimum of 6 years of post-PhD experience in computational materials research.
• Proven record of leading a research group or major project in computational materials science.
• Strong publication record and recognized contributions to the materials science community.

Responsibilities

• Establish and lead a new Materials Sciences research group at ADIA Lab.
• Drive cross-disciplinary research combining physics-based modeling and data science.
• Supervise and mentor junior scientists and students.

Skills

Computational modeling

Simulation

Data-driven materials discovery

Leadership

Collaboration

High-performance computing

Programming (Python, C/C++, Fortran)

Machine learning for materials

Education

PhD in materials science, physics, chemistry, computational science, or applied mathematics

Tools

Git

Linux

LaTeX

Job description

ADIA Lab, an independent research institution based in Abu Dhabi specializing in data and computational sciences, is seeking a Senior Computational Scientist with a focus on Material Sciences. This position plays a pivotal role in establishing a new research group, cultivating and expanding a globally recognized team of researchers, and leading lab-wide initiatives at ADIA Lab and within the broader international community. Our goal is to leverage computational science and data-driven discovery to accelerate breakthroughs in materials for energy, sustainability, and advanced technologies.

ADIA Lab is a global research center dedicated to advancing computational science, data science, and AI to address challenges in climate, health, digital economy, and materials science. Located in Abu Dhabi, the Lab brings together leading researchers from around the world to build foundational knowledge, develop innovative computational methods, and enable breakthroughs that have global impact.

Requirements

• Establish and lead a new Material Sciences research group within ADIA Lab, focusing on computational modeling, simulation, and data-driven materials discovery.
• Drive cross-disciplinary research combining physics-based modeling, data science, and high-performance computing to address grand challenges in materials for energy, climate, and technology.
• Develop and apply computational frameworks for multiscale modeling, quantum-to-continuum simulations, and AI-assisted materials design.
• Build and coordinate a strong, collaborative research team and network, with an emphasis on strategic leadership and partnership development.
• Collaborate with national and international research institutions, fostering a community science approach to accelerate progress in computational materials research.
• Build partnerships with universities, laboratories, and industry to initiate joint programs, funding proposals, and collaborative platforms for materials informatics and open data.
• Publish research results in high-impact journals, contribute to white papers and global assessments, and represent ADIA Lab at leading international conferences.
• Supervise and mentor junior scientists, postdoctoral fellows, and students, nurturing future leaders in computational materials science.
• Play a central role in shaping, growing, and coordinating the Materials Science group as a core pillar within ADIA Lab’s mission, ensuring long-term sustainability and global visibility.
• Work closely with ADIA Lab Fellows and the Advisory Board to shape the strategic direction of materials science research at ADIA Lab.

Basic Requirements

• PhD in materials science, physics, chemistry, computational science, applied mathematics, or a related field.
• Minimum of 6 years of post-PhD experience in computational materials research, data-driven materials design, or closely related domains.

Preferred Qualifications

• Proven record of leading a research group or major project in computational or data-driven materials science.
• Demonstrated expertise in atomistic and first-principles simulations (DFT, molecular dynamics), mesoscale modeling, or continuum methods.
• Experience with machine learning for materials discovery, data curation, and materials informatics platforms (e.g., Materials Project, NOMAD, AiiDA).
• Familiarity with high-performance computing environments, parallel programming, and workflow automation for large-scale simulations.
• Proficiency in programming languages such as Python, C/C++, Fortran, and tools including Git, Linux, and LaTeX.
• Strong publication record and recognized contributions to the international materials science community.
• Excellent leadership, mentoring, and communication skills.

Benefits

Be part of ADIA Lab’s mission to advance computational and data sciences that address humanity’s most pressing challenges. As a Senior Computational Scientist in Material Sciences, you will have the opportunity to shape a world-class research program, build and lead a dynamic interdisciplinary team, and collaborate with a global network of innovators driving the next revolution in materials discovery.