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Project abstract for group blankda
Finite Field Simulations With Polarizable Solute Models
Using finite field molecular dynamics simulations, the researchers investigate the influence of changing the solute polarizability on spectral density of the solvent local to the solute. This is a continuation of their previous work investigating the influence of changing the dipole moment in a model solute. Together, these two isolated changes represent a large fraction of the change in the solvent-solute interaction following photo-excitation in solution.