Poster Abstracts

A. Cancio and M. Y. Chou	Developing an empirical Laplacian-based model for the exchange-correlations energy
A. D. Guclu, C. J. Umrigar, A. Ghosal and H. U. Baranger	Electron Localization in Strongly Correlated Quantum Dots
A. Herwadkar, P. Larson, and W. R. L. Lambrecht	Electronic structure calculations of transition metal and rare earth nitrides using LSDA+U
P. Reinhardt, R. Assaraf, and A. Kollias	Large STO-NG expansions for All Electron Quantum Monte Carlo Trial Functions
D. Vanderbilt and A. Malashevich	First-principles study of polarization and piezoelectric propereties of Mgx-Zn1-xO
A. A. Mostofi, P. Haynes, C. Skylaris and M. C. Payne	ONETEP: Linear Scaling DFT with Plane-Waves-Methods and Applications-
A. Nduwimana and M. Y. Chou	Confinement and surface effects on piezoelectric properties of ZnO and AiN nanowires title
A. Wadehra, R. G. Hennig, and J. W. Wilkins	Density functional study of charged self-interstitials in silicon
B. Lee and L. W. Wang	Exchange-Correlation in Screened-Exchange Density Functional Methods
B. Wood and N. Marzari	A first-priciples molecular dynamics study of hydrogen diffusion in select fuel-cell materials
D. B. Jochym and S. J. Clark	Non-local study of exchange-correlation holes in model metal surface
E. J. Walter, W. A. Al-Saidi, and H. Krakauer	Hartree-Fock Pseudopotentials within the Opium Package
F. Baletto, C. Cavazzoni and S. Scandolo	Structural effect induced by excess charges on ice systems
F.Inam, D. A. Drabold	Simulation of liquid and amorphous Germanium diselenide surfaces
G. Trimarchi, P. Graf, and A. Zunger	Determination of crystal structures by evolutionary algorithms
J. A. Yan, L. Yang, and M. Y. Chou	Quantum Size Effect in the Electronic Properties of Silicon Nanowires
J.Kim and qmcPACK developers	Development of qmcPACK
S. Jungthawan, S. Limpijumnong	Direct enumeration of alloy configurations for semiconductor electronic structure properties
J. Yates, I. Souza	Probing the ab-initio Fermi surface efficiently using Wannier interpolation
K. P. Driver, W. D. Parker, R. G. Hennig, Y. A. Du, J. W. Wilkins, E. Batista, R. L. Martin, G. Scuseria, C. J. Umrigar	Quantum Mechanical Predictions of Defect Properties for Realistic Device Simulations
L. Yang, M. Y. Chou	Electronic Structure of Core-Shell Semiconductor Nanowires
M. Pruneda, I. Souza	Dynamics of wave packets under electric fields
N. Bonini, N. Mounet, M. Lazzeri, F. Mauri, and N. Marzari	Anharmonic effects in graphene, graphite and carbon nanotubes: thermal expansion and phonon lifetimes
P. Tang, N. A. W. Holzwarth, Y. J. Du, and X. Xu	Electronic structures of four crystalline phases of FePO4
P. R. C. Kent, D. M. C. Nicholson, M. Eisenbach, T. C. Schulthess	Density functional calculations of the magnetic structure of FePt nanoparticles
P. Lin, and M. Y. Chou	Ab Initio Study of Helium Cluster Formation at the Vacancy in Palladium
P. Lukashev and W. R. L. Lambrecht	Structural and Electronic Properties of Copper Sulfides
S. Ismail-Beigi	Ab Initio prediction of the electronic and optical properties of single-walled GaN nanotubes
S. Li, C. J. Fennie, and K. M. Rabe	Ferroelectricity and multiferroicity in the Dion-Jacobson compounds ABiN2O7, A=Cs, (MnC1), from first principles
T. Abtew, D. A. Drabold	Hydrogen diffusion and its consequences in light exposed a-Si:H
T. Thonhauser and D. Vanderbilt	Churning the Chern Numbers: An Investigation of the Insulator/Chern-Insulator Transition
N. A. Romero, W. D. Mattson, and B. M. Rice	First-Principles Calculation of the Diamond Shock Hugoniot
W. D. Parker, K. P. Driver, R. G. Hennig, J. W. Wilkins, C.J. Umrigar	Testing Approximations in Quantum Monte Carlo on Silicon Single Self-interstitial Defects
X. Wang, J. Yates, I. Souza, and D. Vanderbilt	Dependence of anomalous Hall effect on spin-orbit coupling strength in bcc Fe
X. Wu, O. Dieguez, K. M. Rabe, and D. Vanderbilt	Wannier-based definition of layer polarizations in perovskite superlatices
Y. J. Du, N. A. W. Holzwarth, and X. Xu	Li-ion diffusion mechanisms in g-Li3PO4 electrolytes