Bulletin of the American Physical Society

2008 APS March Meeting

Volume 53, Number 2

Monday–Friday, March 10–14, 2008; New Orleans, Louisiana

Session Index

Session V9: Computational Methods: Multiscale Modeling	Show Abstracts
Sponsoring Units: DFD Chair: Kathie Newman, University of Notre Dame Room: Morial Convention Center RO7

Thursday, March 13, 2008 11:15AM - 11:27AM		V9.00001: Step decoration studied with first-principles statistical mechanics Yongsheng Zhang, Karsten Reuter Preview Abstract
Thursday, March 13, 2008 11:27AM - 11:39AM		V9.00002: Non-Adiabatic Transition Path Sampling: Application to a Model Proton-Transfer Reaction Laura J. Kinnaman, Steven A. Corcelli, Kathie E. Newman Preview Abstract
Thursday, March 13, 2008 11:39AM - 11:51AM		V9.00003: First-passage Monte Carlo for materials under irradiation Aleksandar Donev, Vasily Bulatov Preview Abstract
Thursday, March 13, 2008 11:51AM - 12:03PM		V9.00004: OPAL: A New Multiscale Software Architecture Based on MPI-2 Yun-Wen Chen, Chao Cao, Ming Zhang, Erik Deumens, Hai-Ping Cheng Preview Abstract
Thursday, March 13, 2008 12:03PM - 12:15PM		V9.00005: MP2 calculations for solid state systems Martijn Marsman, Georg Kresse Preview Abstract
Thursday, March 13, 2008 12:15PM - 12:27PM		V9.00006: New approaches to the prediction of thermodynamic stability of crystal structures Johannes Voss, Tejs Vegge Preview Abstract
Thursday, March 13, 2008 12:27PM - 12:39PM		V9.00007: Solidifying semiconductor nanocrystals from melts: Molecular dynamics simulations Tianshu Li, Davide Donadio, Giulia Galli Preview Abstract
Thursday, March 13, 2008 12:39PM - 12:51PM		V9.00008: Ab-Initio Density Functional Calculation of Interatomic Potentials for Large-scale Atomistic Material Simulations. G.L. Zhao, S. Yang Preview Abstract
Thursday, March 13, 2008 12:51PM - 1:03PM		V9.00009: A New Look at the Evaluation of Embedded Atom Potential Models. James N. Glosli, Kyle J. Caspersen, David F. Richards, Robert E. Rudd, Fred H. Streitz Preview Abstract
Thursday, March 13, 2008 1:03PM - 1:15PM		V9.00010: Electronic structure from Maximum Entropy optimization: Applications to band energy and electronic force computation Hiro Shimoyama, Parthapratim Biswas Preview Abstract
Thursday, March 13, 2008 1:15PM - 1:27PM		V9.00011: Lagrangian Time-Reversible Born-Oppenheimer Molecular Dynamics Anders Niklasson Preview Abstract
Thursday, March 13, 2008 1:27PM - 1:39PM		V9.00012: First-principles calculation combined with multicanonical simulation Yoshihide Yoshimoto Preview Abstract
Thursday, March 13, 2008 1:39PM - 1:51PM		V9.00013: Topological Properties of Microstructures in Nanocrystalline Materials. Tao Xu, Mo Li Preview Abstract
Thursday, March 13, 2008 1:51PM - 2:03PM		V9.00014: XML Tools for First-Principles Molecular Dynamics Simulations Francois Gygi Preview Abstract
Thursday, March 13, 2008 2:03PM - 2:15PM		V9.00015: Approximating Densities of States with Gaps using Maximally Broken Time-Reversal Symmetry Roger Haydock, C.M.M. Nex Preview Abstract

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Bulletin of the American Physical Society

2008 APS March Meeting

Volume 53, Number 2

Monday–Friday, March 10–14, 2008; New Orleans, Louisiana

Session Index

Session V9: Computational Methods: Multiscale Modeling

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