The research group of Prof. Wissam Saidi at the University of Pittsburgh invites applications for a postdoctoral researcher position.

Description: The position will focus on the fundamental properties of interactions between small molecules and actinide surfaces to advance rational catalyst design. The work will involve developing density functional theory (DFT) frameworks with advanced electron-correlation treatments, investigating scaling relationships for adsorption and reaction barriers, and integrating machine-learning atomistic potentials. The project includes close collaboration with international experimental partners to validate computational predictions.

Qualifications:

• Ph.D. in materials science, chemistry, physics, or a related field.

• Expertise in first principles and machine learning based calculations (DFT, DFT+U, hybrid functionals) for materials.

• Background in catalysis, actinide/transition-metal chemistry, is desirable.

• Experience with high-performance computing and programming (e.g., Python, MATLAB, or similar) is preferred.

Opportunities: The postdoc will work in a collaborative and interdisciplinary environment, present at conferences, and publish in high-impact journals. This project is supported by the ACS Petroleum Research Fund and aims to establish new computational frameworks for heterogeneous catalysis in f-block materials.