22nd Annual Workshop on Electronic Structure Methods

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Last Updated: Tuesday, June 1, 2010.

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Overview
This workshop series brings together participants in electronic structure theory. The presentations describe new methods for computing previously inaccessible properties, breakthroughs in computational efficiency and accuracy, and novel applications of these approaches to the study of molecules, liquids, and solids. The program will consist of invited oral presentations and contributed posters.

Participants
Click here to view an up to date list of registered participants.

Summary
Dates: June 7-10, 2010
Location: Austin, Texas
Site: University of Texas at Austin - Institute for Computational Engineering & Sciences
Building: Applied Computational Engineering and Sciences Building (ES10 Map)

Speakers (last updated Friday, May 28, 2010)
Titles and abstracts are being added daily. Where a title link appears, the link will take you to the files page where the abstract can be accessed via PDF.

Salvador Barraza-Lopez - Georgia Tech University - “Effects of Metal Contacts on Electronic Transport through Two-Terminal Graphene Junctions”
Jim Chelikowsky - University of Texas at Austin - “Pseudopotential calculations 25 years after Kleinman-Bylander”
Jack Deslippe - University of California at Berkeley - “Pushing the limits of the GW-BSE methodology for complex materials, molecules and nano-systems”
Craig Fennie - Cornell University - “Magnetoelectric coupling and switching in layered perovskites”
Bruce Harmon - Ames Laboratory - U.S. Department of Energy - “FeAs superconductors: Electronic Structure Calculations are Relevant!”
Han Hsu - University of Minnesota - “Spin-state crossover in lower-mantle minerals and lanthanum cobaltite (LaCoO3)”
Manos Kioupakis - University of California at Santa Barbara - “First-principles calculation of Auger recombination and internal absorption loss in nitride light emitters.”
Leeor Kronik - Weizmann Institute of Science - Israel - “Predicting both dispersion interactions and electronic structure using density functional theory”
Johannes Lischner - Cornell University - “Phonon-phonon interactions in carbon nanotubes”
Allan MacDonald - University of Texas at Austin - “GW in Magnetic and Nearly Magnetic Systems”
Nancy Makri - University of Illinois - Urbana-Champaign - “Iterative Monte Carlo Path Integral Formulation of Quantum Dynamics”
Andrei Malashevich - University of California at Berkeley - "Theory of orbital magnetoelectric response"
Jeff Neaton - Lawrence Berkeley National Laboratory - U.S. Department of Energy - “First-Principles Approaches to Charge Transport and Energy Conversion with Self-Energy Corrections”
Jim Phillips - Rutgers University - “Beyond Nostalgia: Electronic Structure Concepts for the 21st Century”
Vivek Ranjan - North Carolina State University - "High Energy Density Storage in Ferroelectric Polymers"
Ken Shih - University of Texas at Austin - “Quantum size effects in metallic ultra-thin films: surface energy, workfunction, and superconductivity”
Joe Subotnik - University of Pennsylvania - “The initial and final states of electron and energy transfer processes.”
Suhuai Wei - National Renewable Energy Laboratory - U.S. Department of Energy - “Engineering of Bulk and Nano Materials for Energy Applications”
Steve Young - University of Pennsylvania - “Bulk photvoltaic effect: Nonlinear Optical Contributions”
Shengbai Zhang - Rensselaer Polytechnic Institute - “Boundary Effects on the Electronic States of Nanomaterials”

22nd Annual Workshop on Electronic Structure Methods

June 7-10, 2010 - The University of Texas - Austin, Texas