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Molecular simulation of energy storage systems

Primary Investigators:
Peter T. Cummings
Brief Description of Project:
Supercapacitors rapidly store energy but do not store as much energy as batteries. To bridge the energy storage gap requires fundamental understanding of the properties of the electric double layer (EDL), the nanoscale layering of ions interacting with an electrode. We use molecular dynamics simulations to study the properties of the EDL, from which we obtain structural, transport, and electrochemical properties. These simulation data are supported through collaborations with experimentalists at Oak Ridge National Laboratory and other scientific institutions.

Desired Qualifications:
Familiarity with computer programming in at least MATLAB and/or python and/or FORTRAN and/or C is desirable but not necessary.
Nature of Supervision:
The student will work with a graduate student mentor. There will be weekly meetings with Professor Cummings and the graduate mentor to monitor progress, identify any problems, and propose solutions.
A Brief Research Plan (period is for 10 weeks):
Week 1: Participate in computational simulation bootcamp to learn about simulation tools and theory behind them
Weeks 2 - 10: Perform simulations of increasing sophistication under supervision of graduate students. Participate in writing of manuscript for publication. 

Number of Open Slots: 1
Contact Information:
Name: Peter Cummings
Associate Dean for Research and John R. Hall Professor of Chemical Engineering
Department: Chemical and Biomolecular Engineering