Campuses:

Dynamical

Monday, October 12, 2015 - 2:25pm - 3:25pm
We give an overview of a technique for analysing the performance of large dynamical networks, such as electrical power systems. The technique can be used to guarantee that a certain level of performance is achieved by the network on the basis of a set of low complexity decentralised tests. These tests are robust to structural changes within the network, and can also be used to guide the design of local control systems. The conditions are used to demonstrate that the oscillatory modes within a benchmark power system model are sufficiently well damped.
Monday, January 12, 2009 - 10:00am - 10:30am
John Herbert (The Ohio State University)
This talk will discuss recent developments in one-electron model Hamiltonians for the hydrated electron, and their application to both anionic water clusters and bulk aqueous electrons. Our group has recently developed a new hydrated-electron model that combines the polarizable AMOEBA water model with a static exchange treatment of the electron-water interaction, parameterized from electronic structure calculations.
Monday, January 12, 2009 - 9:00am - 9:45am
Joel Bowman (Emory University)
Joint work with Bastiaan J. Braams and Yimin Wang (Department of Chemistry and Cherry L. Emerson Center for Scientific Computation,
Emory University, Atlanta, GA 30322).

The currently exists a variety of methods to represent
potential energy surfaces for high dimensional systems, and
these will be reviewed after a short, selective, historical
introduction to the topic. I will describe the progress we have
Thursday, December 11, 2008 - 2:20pm - 3:00pm
Jaydeep Bardhan (Argonne National Laboratory)
Implicit-solvent models commonly decompose the molecular solvation free energy into a sum of electrostatic and non-polar terms, with separate theoretical and numerical procedures employed for each component. In this talk I will describe a new method for estimating the electrostatic free energy of solvation, called BIBEE (boundary-integral-based electrostatics estimation).
Tuesday, December 9, 2008 - 9:40am - 10:20am
Roberto Cammi (Università di Parma, e-mail: roberto.cammi@unipr.it)
Quantum chemistry computational tools coupled with a continuum description of the solvent offer an effective approach to study molecular properties and processes in condensed phase due to modest increase of the computational effort with respect a QM calculation of isolated molecules [1].
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