| Name | Institution | Poster title |
|---|---|---|
| Yihua Bai | Indiana State University | First principles theory of femtomagnetism (Ref. G. Zhang) |
| Michal Bajdich | North Carolina State University | Slater determinant and pfa an expansions for wave functions in electronic structure QMC |
| Salvador Barraza-Lopez | Virginia Tech | The interaction between a molecular magnet monolayer and a metallic surface |
| Todd Beaudet | UIUC | Molecular hydrogen adsorbed on benzene: insights from a quantum Monte Carlo study |
| Antonio Cancio | Ball State University | Correlation and Self Interaction Error in Second Row Atoms |
| Chao Cao | Quantum Theory Project, University of Florida | Exchange-correlation functional for non-equilibrium systems |
| Hanghui Chen | Yale University | A First Principle Study on the LaAlO3/SrTiO3 Heterointerfaces |
| Yun-Wen Chen | University of Florida | First-pinciples study of α-quartz (0001) surface and its interaction with water layers |
| Sinisa Coh | Rutgers University | Is electric polarization well-defined in a Chern insulator? |
| Kevin Driver | The Ohio State University | Quantum Monte Carlo Study of the Elastic Instability of Stishovite Under Pressure |
| Michael Fellinger | The Ohio State University | Development of an Embedded Atom Method Potential for Vanadium |
| Jivtesh Garg | Massachusetts Institute of Technology | Ab-initio simulations of grain boundary sliding in aluminum and nickel |
| Kevin Garrity | Yale University | Phase Diagram of Sr of Si (100): A first-principles study |
| Jun He | Argonne National Laboratory | The Effects of Surface and Interface Compensation on the Polarization in Ferroelectric PbTiO3 Ultrathin Films |
| Miroslav Hodak | NC State | Hybrid DFT/DFT study of Cu(II) binding to prionprotein |
| Natalie Holzwarth | Wake Forest University | Projector Augmented Wave Formulation of Optimized Effective Potential Density Functional Theory (PAW-OEP) (co-author with Xiao Xu) |
| Muhammad Huda | National Renewable Energy Laboratory | Electronic Structure of ZnO:Ga Compounds: Asymmetric Bandgap Engineering |
| Jie Jiang | NC State University | Edge states and defects in carbon nanoribbons |
| Karen Johnston | Max-Planck-Institute for Polymer Research | Influence of van der Waal’s forces on the adsorption structure of organic molecules on silicon |
| Seungchul Kim | Seoul National University | Origin of Anomalous Electronic Structures of Epitaxial Graphene on SiC |
| Jindrich Kolorenc | North Carolina State University | Diffusion Monte Carlo study of compressed FeO |
| Roman Kovacik | Trinity College Dublin | Calculation of maximally localized Wannier functions and hopping parameters for LaMnO3 |
| Jaron Krogel | UIUC | Population Control in Petascale Diffusion Monte Carlo |
| Kah Chun Lau | George Washington University | Kinetic Monte Carlo simulation of the Yttria Stabilized Zirconia (YSZ) fuel cell |
| Andrei Malashevich | Rutgers University | First-principles study of improper ferroelectricity in TbMnO3 |
| Alexis Nduwimana | Clark Atlanta University | Spatial Charge Confinement in core-shell nanowire heterostructure |
| Jeremy Nicklas | The Ohio State University | First Principles Phase Diagram Calculation of AlGaN |
| Kyungwha Park | Virginia Tech | Interaction between a molecular magnet monolayer and a metallic surface |
| Hyoungki Park | The Ohio State University | Relative stability of extended interstitial defects in silicon: large-scale classical MD and first-principles DFT. |
| William Parker | The Ohio State University | New density functional and backflow transformation applied to Si interstitial defects |
| Oscar Paz | Rutgers University | First-principles electronic structure investigation of PTCDA on Cu(111) |
| Frank Petruzielo | Cornell University | Compact and accurate quantum Monte Carlo wavefunctions for first-row atoms |
| Wen Ying Ruan | Georgia Institute of Technology | Engergy Band Structures of Multilayer Graphene |
| Sven Rudin | Los Alamos National Laboratory | Hysteretic Phase Transition Predicted in Indium-Plutonium Alloy |
| Matteo Salvetti | MIT | Strain-dependence of the superconducting critical temperature Tc |
| Luke Shulenburger | University of Illinois at Urbana-Champaign | Correlation effects in quasi one dimensional electron wires |
| John Shumway | Arizona State University | Path Integral Monte Carlo Simulations of Wires and Quantum Point Contacts |
| Alaska Subedi | University of Tennessee, Knoxville | Bonding in Zintal phase hydrides SrAlSiH, SrAl2H2, SrGa2H2 and BaGa2H2 |
| Abdullah Sultan | Texas A&M University | QM Study of Counterions interaction with surfactants in Solution |
| Hui Tang | Yale University | Buckling of Boron Sheets and Nanotubes: A First Principle Study |
| Murilo Tiago | Oak Ridge National Laboratory | Buckyballs under Pressure |
| Hugh Wilson | University of California Davis | Efficient Dielectric Matrix Calculations from the Projective Dielectric EigenPotential Method |
| Henry Wu | University of Illinois Urbana-Champaign | Cu/Ag EAM potential Optimized for heteroepitaxial diffusion from ab initio data |
| Xiao Xu | Wake Forest University | Projector Augmented Wave Formulation of Optimized Effective Potential Density Functional Theory - PAW-OEP1 |
| Joseph Yasi | University of Illinois at Urbana-Champaign | Ab-initio lattice Green function approach for dislocations in Magnesium |
| Min Yu | University of Illinois at Urbana-Champaign | Energy Density Method on semiconductor |
| Liping Yu | NC State University | Local dielectric permittivity profiles of sapphire/polypropylene interfaces |
| Guoping Zhang | Indiana State University | First principles theory of femtomagnetism |
48 rows; Last updated Friday, August 29, 2008 at 07:14:47 PM
