Description

This postdoctoral fellowship opportunity at the Naval Research Laboratory (NRL) focuses on computational materials design and engineering. The research aims to develop theoretical models that establish structure-property relationships to enable the design of novel materials tailored for specific applications. The work involves investigating properties of bulk materials, alloys, and interfaces, including their transport properties as influenced by defects and impurities.

The primary goal is to tune electronic, thermodynamic, and vibrational properties of materials, interfaces, and alloys to achieve enhanced optical, electronic, and thermal performance. Researchers will employ a broad range of theoretical and computational methods such as density functional theory (DFT), molecular dynamics (MD), and finite element methods to calculate material properties and assess the impact of materials engineering on device performance.

Collaboration with leading experimental groups, particularly at NRL, is a key component of this research. The fellowship provides an opportunity to work at the forefront of materials science, including areas like semiconductors, 2D materials, thermoelectrics, and device simulation.

Keywords

• Semiconductors
• Superlattices
• Phonons
• Surfaces and Interfaces
• Spins
• Materials Science
• Transport Properties
• Optical Properties
• 2D Materials (e.g., Graphene)
• Thermal Transport
• Thermoelectric Materials
• Finite Element Methods
• Machine Learning Methods
• Device Simulation
• Density Functional Theory (DFT)
• Molecular Dynamics (MD)
• Ab Initio Molecular Dynamics (AIMD)