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Kathleen Schwarz (Fed)

I develop and apply computational tools to investigate the electrochemical double layer at an atomistic level. These tools are used to model electrocatalytic reactions at metal surfaces, solvation of charged molecules and surfaces, and properties of the interface such as the differential capacitance. The goal of my work is to apply these atomistic tools to address fundamental challenges in corrosion, electrocatalysis and electrodeposition.

If you are a postdoctoral candidate, we have openings that are immediately available to all US Citizens through the NRC Research Associateship Program. Our current NRC postings include:

Computational Electrochemistry and Dielectric Spectroscopy

Electrochemical Surface Science of Metal-Electrolyte Interfaces: Theory and Experiment

If you are interested or have any questions, please email me.

Project Pages

Electric-acoustic spectroscopy

Professional Awards and Recognition

  • NIST NRC Fellowship, 2014-2016
  • NSF Graduate Research Fellowship, 2009
  • Barry Goldwater Scholarship, 2005

Publications

See Google Scholar for recent publications. 

Publications

Quantifying the Effect of Guest Binding on Host Environment

Author(s)
Angela Stelson, Zack Fishman, Jacob Pawlik, Gosia Musial, Jim Booth, Chris Long, Kathleen Schwarz, Nate Orloff, Hugh Ryan, Angela Grommet, Jonathan Nitschke, Felix Rizzuto
The environment around a host-guest complex is defined by of intermolecular interactions between solvent molecules and counter ions. These interactions govern

Modeling the linear and nonlinear dielectric response of solvents

Author(s)
Michael Woodcox, Avik Mahata, Aaron Hagerstrom, Angela Stelson, Chris Muzny, Ravishankar Sundararaman, Kathleen Schwarz
We demonstrate a method to compute the dielectric spectra of fluids in molecular dynamics by directly applying electric fields to the simulation. We obtain
Created September 24, 2019, Updated December 8, 2022