Nonlocal Dielectric Response of Water

Speaker: 
Matthew Badali
Event Date and Time: 
Fri, 2012-08-10 14:00 - 15:00
Location: 
Hennings 304 (different room!)
Intended Audience: 
Graduate

 

Water has many quirks.  In this brief talk I will outline a few of the weirder properties of water, before looking at how the 'universal solvent' is represented in computations, especially molecular dynamics.  My own research will be presented, on the dielectric response of water and the necessity of nonlocality.  Simulation results are used to derive a reasonable response function, though when this is applied to finding the effective electric potential of a solvated ion it fails to match up to the 'real' results of simulations with multiple ions.  Even on a molecular level water leads to complicated situations. 
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