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King Abdullah University of Science and Technology

Postdoctoral Position – AI for Materials King Abdullah University of Science and Technology in Saudi Arabia

Degree Level

Postdoc

Field of study

Computer Science

Funding

Available

Deadline

Expired

Country flag

Country

Saudi Arabia

University

King Abdullah University of Science and Technology

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Keywords

Computer Science
Machine Learning
Chemistry
Materials Science
Transfer Learning
Uncertainty Analysis
Active Learning
Workflow Management
Generative Modeling
High-throughput Analysis
C
Dft
Atomistic Simulation
Computational Materials
Physics
Smart Material

About this position

This postdoctoral position at King Abdullah University of Science and Technology (KAUST) is focused on the application of artificial intelligence (AI) and machine learning to advanced materials design. The successful candidate will join the Physical Science and Engineering Division, working on projects that leverage machine learning and high-throughput first-principles calculations to accelerate the discovery of new materials.

The research sits at the intersection of computational science, materials engineering, and AI, with main directions including the development of machine learning methods and models, out-of-distribution generalization, uncertainty quantification, active learning, generative modeling, and dataset quality assessment. Additional research areas involve automating atomistic modeling workflows, developing ML methods for workflow orchestration, dataset curation, and the creation of ML interatomic potentials. The integration of AI with computational and experimental approaches is also a key focus, including transfer learning, multimodal learning, descriptor design, and automated spectral data analysis. The ideal candidate will have a strong background in materials science, chemistry, physics, or a related field, and be comfortable with computational work such as coding and using high-performance computing resources.

Experience with atomistic modeling techniques (DFT, MD, MC) and machine learning is preferred but not strictly required. The position is based in Thuwal, Makkah, Saudi Arabia, and offers the opportunity to work in a cutting-edge research environment at KAUST. The application deadline is January 1, 2026.

For more information or to apply, candidates should contact Dr. Kangming Li at [email protected].

Funding details

Available

What's required

Applicants must hold a PhD or equivalent in materials science, chemistry, physics, or a related field. Candidates should be comfortable with computational work, including coding and use of high-performance computing (HPC) resources. Experience in atomistic modeling methods such as DFT, MD, or MC, as well as machine learning, is preferred but not strictly required.

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Professors

at King Abdullah University of Science and Technology

University Name
Country flag

Saudi Arabia

Research Interests

Materials Chemistry

Condensed Matter Physics

Materials Science

Computational Materials

Material Characterization