First-principles modeling of materials
Using DFT and AIMD simulations, this project models Navy-relevant materials like batteries and 2D materials to understand their electronic structure and chemistry.
This grant is no longer accepting proposals
NRC Research Associateship Programs has archived this opportunity.
Funder: NRC Research Associateship Programs
Due Dates: May 1, 2025 (RAP opportunity application deadline)
Funding Amounts: Stipend approximately $99,200 per year plus $3,000 travel allowance; relocation assistance available for eligible awardees. Duration typically 2-3 years.
Summary: Postdoctoral fellowship supporting first-principles modeling and simulation of Navy-relevant materials and nano-systems using DFT and ab initio molecular dynamics.
Key Information: Open to U.S. citizens and permanent residents holding a recent doctoral degree; requires collaboration with Naval Research Laboratory advisers; health insurance provided.
Description
This fellowship opportunity, offered through the NRC Research Associateship Programs, supports postdoctoral researchers in conducting first-principles-based modeling and simulation of materials relevant to the U.S. Navy. The research focuses on understanding materials and nano-systems at the molecular level using advanced computational methods such as density functional theory (DFT) and ab initio molecular dynamics (AIMD).
Current research areas of interest include:
- Electronic structure and properties of novel battery materials
- Surface chemistry and science of two-dimensional (2D) materials
- Oxidative reaction pathways in hydrocarbons
- Biopolymers and vibrational signatures of chemical reaction products
- Low-dimensional materials and nano-systems
The program emphasizes close collaboration with experimental research teams at the Naval Research Laboratory (NRL) in Washington, DC, providing a rich interdisciplinary environment.
Awardees will have access to state-of-the-art facilities and mentorship from leading scientists, with the goal of producing innovative, publishable research that advances knowledge in theoretical chemistry, materials science, quantum chemistry, and molecular modeling.
