Computational modeling of Li-ion battery materials – URA - Materials Science and Engineering

Undergraduate research assistant position to perform atomistic simulations to study the properties of Li-ion battery electrodes and electrolytes:
The successful applicant will conduct quantum mechanical simulations to calculate various materials properties of Li-ion battery materials including, mechanical strength, modulus, electronic properties, and Li-ion diffusivity. Advancing Li-ion battery technology is a key for energy security and achieving sustainable society. Research on fundamental materials properties of the energy storage materials contributes to understanding the limitation and opportunities of the materials and designing new materials with improved performance. The simulation results will be compared with the experimental measurements to provide theoretical understanding to the experimentally observed phenomena.

Keywords: computer modeling, simulations, Li-ion battery, energy storage materials, battery

Project Dates

Start Date: 1/8/2024 - End Date: 4/28/2024

Students Needed

Type of Project


Student Responsibilities

Perform computation simulations to study the materials properties of the energy storage materials. Analyze and visualize the simulated results. Communicate with other group members to discuss the results and research directions.

Time Commitment

10 hour(s)

Student Requirements

Following experience/knowledge is desired, but not required: 1) Electrochemistry 2) Fundamentals of batteries 3) proficiency in computers (programming language, server maintenance, Linux OS, etc.)

Interested in Working With the Following Programs

For EXCEL URE Students Only

Additional Notes

Depends on funding availability of EXCEL/COMPASS program.

Position Overview

  • Date Posted: 10-10-2022
  • Location:
    • Orlando (Main Campus)
  • Paid: Yes