Description

This postdoctoral fellowship opportunity at the Naval Research Laboratory (NRL) supports research developing theoretical descriptions of the relationships between microscopic properties and macroscopic behaviors of energy-related materials. The research focuses on understanding and manipulating nanoscale phenomena to enhance cycling stability in battery anode and cathode materials. Key interests include controlling electronic and ionic conductivity, thermodynamic stability, phase transitions, reaction barriers, and other performance characteristics through doping strategies.

Primary methodologies employed include density functional theory (DFT), ab initio molecular dynamics (AIMD), and classical molecular dynamics (MD), with additional use of higher-level thermodynamic models and Monte Carlo simulations. The research aims to generate new insights that can improve energy storage and conversion materials.

The fellowship provides a stimulating environment with access to state-of-the-art facilities and mentorship from leading scientists, including the opportunity to collaborate with Dr. Michelle D. Johannes.