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Search Publications by: Michael Woodcox (Fed)

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Modeling the linear and nonlinear dielectric response of solvents

March 13, 2023

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 spectra from molecular dynamics simulations with low magnitude electric fields (0.01 V/A) in