Bulletin of the American Physical Society

2006 APS March Meeting

Monday–Friday, March 13–17, 2006; Baltimore, MD

Session Index

Session H31: Focus Session: Simulation of Complex Materials II	Show Abstracts
Sponsoring Units: DCOMP DMP Chair: Giulia Galli, University of California, Davis Room: Baltimore Convention Center 328

Tuesday, March 14, 2006 11:15AM - 11:27AM		H31.00001: Persistent Current and Drude Weight in Mesoscopic Rings F. Carvalho Dias, I.R. Pimentel, M. Henkel Preview Abstract
Tuesday, March 14, 2006 11:27AM - 11:39AM		H31.00002: Applying Time-dependent DMRG to Calculate the Conductance of Nanostructures Khaled Al-Hassanieh, A. E. Feiguin, J. A. Riera, C. A. B\"usser, E. Dagotto Preview Abstract
Tuesday, March 14, 2006 11:39AM - 11:51AM		H31.00003: Structural and electronic properties of solvated benzene and hexafluorobenzene from \textit{ab initio} simulations Markus Allesch, Eric Schwegler, Giulia Galli Preview Abstract
Tuesday, March 14, 2006 11:51AM - 12:27PM		H31.00004: Boron: do we know the ground state structure? Invited Speaker: Preview Abstract
Tuesday, March 14, 2006 12:27PM - 12:39PM		H31.00005: First principles thermodynamics studies on the surface structures of Pt-alloy catalyst as a function of the surface segregation, co-adsorption and particle size Byungchan Han, Gerbrand Ceder Preview Abstract
Tuesday, March 14, 2006 12:39PM - 12:51PM		H31.00006: Structural and Vibrational Properties of Boron Nitride Analogues of Diamondoids Steven L. Richardson, Kyungwha Park, Tunna Baruah, Mark R. Pederson Preview Abstract
Tuesday, March 14, 2006 12:51PM - 1:03PM		H31.00007: High quality molecular dynamics simulation of carbon nanotubes in Deyu Lu, Yan Li, Umberto Ravaioli, Giancarlo Cicero, Giulia Galli, Klaus Schulten Preview Abstract
Tuesday, March 14, 2006 1:03PM - 1:15PM		H31.00008: Realistic, quantitative descriptions of electron-transfer reactions: diabatic free-energy surfaces from first-principles molecular dynamics P. H.-L. Sit, M. Cococcioni, Nicola Marzari Preview Abstract
Tuesday, March 14, 2006 1:15PM - 1:27PM		H31.00009: Role of Interfaces and Effect of Impurities in Nitride-based Superhard Nanocomposites Hao Shiqiang, Bernard Delley, Catherine Stampfl Preview Abstract
Tuesday, March 14, 2006 1:27PM - 1:39PM		H31.00010: Spectral functions of fullerene molecules and solids Fei Lin, Erik Sorensen, Catherine Kallin, John Berlinsky Preview Abstract
Tuesday, March 14, 2006 1:39PM - 1:51PM		H31.00011: Static Polarizabilities of Nanoclusters Hye-Young Kim, Jorge Sofo, Darrell Velegol, Milton Cole, Gautam Mukhopadhyay Preview Abstract

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Bulletin of the American Physical Society

2006 APS March Meeting

Monday–Friday, March 13–17, 2006; Baltimore, MD

Session Index

Session H31: Focus Session: Simulation of Complex Materials II

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