Easels will be set-up with a 3’ wide by 4’ tall piece of foamcore. Presenters will pin their poster to the foamcore.

The easels will be set up in the “rotunda” and along the right side of the corridor in the center of the image below. This corridor is directly across from the Avaya Auditorium.

Presenters can pin their poster at any time prior to the poster session. Each easel will be designated for the specific presenter using the “codes” below (A01, A02...B01, B02, etc.).


Poster Session A - Tuesday, June 8 - 4-5:30 p.m.
A01 - Paul Baumeister - Institut für Festkörperforschung - “Large Scale DFT with PAW in Real-Space
A02 - Clive Bealing - Cornell University -
A03 - Rob Berger - Molecular Foundry/LBNL -
First-principles band-gap engineering of SrTiO3 via biaxial strain”
A04 - Laimutis Bytautas - Rice University - New ab initio approaches for accurate description of the bond breaking processes”
A05 - Hanghui Chen - Yale University - Intermixtures at LaAlO3/SrTiO3 interfaces”
A06 - Sinisa Coh - Rutgers University -
“Calculation of the Chern-Simons orbital magnetoelectric coupling”
A07 - Kevin Garrity - Yale University -
Phase transition of Sr on Si (0 0 1): First principles prediction and experiment”
A08 - Cheng Gong - University of Texas at Dallas -
Metal-Graphene Interfaces: A First-Principles Study”
A09 - Gaoyang Gou - University of Pennsylvania -
The Effects of cation arrangement on band gap: Theoretical studies of highly polar semiconductor PbTi1-xNixO3-x solid solutions”
A10 -
Rachael Hansel - Vanderbilt University - Automated Generation of Highly Accurate, Efficient and Transferable Pseudopotentials”
A11 - Natalie Holzwarth - Wake Forest University - Two implementations of the Projector Augmented Wave (PAW) formalism”
A12 - Min Huang - University of Texas at Dallas -
Ab initio study of the adsorption silane and disilane on Si(100)-(2x1) surface”
A13 - Joongoo Kang - National Renewable Energy Laboratory -
First-Principles Modeling of Nanomaterials for Energy Storage Applications”
A14 -
Wei Kang - Brookhaven National Laboratory - “Efficient GW Method Based on an Enhanced Static Approximation”
A15 - Amy Khoo - University of Texas at Austin - Theoretical study of vibrations and Raman spectra in pristine and P-doped Si nanocrystals”
A16 - Seungchul Kim - University of Pennsylvania - Polarization dependence of palladium deposition geometry on ferroelectric LiNbO3 (0001)”
A17 - Alexie Kolpak - Yale University - Density functional theory-based prediction of the kinetically trapped epitaxial Si/SrTiO3 interface structure”
A18 -
Jeehye Lee - Cornell University - Ab initio demonstration of structural phase transitions in Ruddlesden-Popper phases of strontium titanate”
A19 - Kyuho Lee - Rutgers University - “A Higher-Accuracy van der Waals Density Functional”
A20 - Wenchang Lu - North Carolina State University - Electronic and transport properties of carbon nanoribbons: edge effects and nitrogen doping”
A21 -
M. Riad Manaa - Lawrence Livermore National Laboratory - “Exploring Athermal Initiation Mechanism of Azides”

Poster Session B - Wednesday, June 9 - 4-5:30 p.m.
B01 - Thomas Markovich - University of Houston - A new generalization of supersymmetric quantum mechanics to arbitrary dimensionality or number of distinguishable particles.”
B02 - Noa Marom - University of Texas at Austin - Stacking and Registry Effects in Layered Materials: The Case of Hexagonal Boron Nitride”
B03 - John Mark Martirez - University of Pennsylvania - First principles investigation of surface dynamics involving OH on thin-film BaTiO3 surfaces”
B04 - Normand Modine - Sandia National Laboratories - “Implementation of the Optimized Effective Potential and Exact Exchange in Socorro”
B05 - Vivien Petzold - Technical University of Denmark - Estimating the error of a DFT calculation”
B06 - Miguel Angel Méndez Polanco - University of Pennsylvania - Polarization effect on the deposition of Pt electrodes on PTO ferroelectric surfaces”
B07 -
Tingting Qi - University of Pennsylania - Correlations between tetragonality, polarization, and ionic displacement in PbTiO3-derived ferroelectric perovskite solid solutions”
B08 - Anindya Roy - Rutgers University - Theory of prospective tetrahedral ferroelectrics”
B09 - Kathleen Schwarz - Cornell University -
Quantum Monte Carlo backflow calculations of benzene dimers”
B10 -
Sahar Sharifzadeh - Molecular Foundry/LBNL - First-principles study of the electronic structure of organic semiconductors”
B11 - Bi-Ching Shih - University at Buffalo, The State University of New York - Screened Coulomb interactions between localized electrons in solids”
B12 - Alexey Soluyanov - Rutgers University -
Wannier representation of Z2 topological insulators”
B13 - Hui Tang - Yale University -
“Self-doping in boron nanostructures: A route to structural design of metal boride nanostructures"
B14 - Will Tipton - Cornell University - Quantum Monte Carlo calculations of defects in ZnO”
B15 - Weichao Wang - University of Texas at Dallas -
“Origin of gap states in GaAs/HfO2 interface”
B16- Kendra Letchworth Weaver - Cornell University -
“Joint Density Functional Theory: An Approach to Ab-Initio Continuum Solvation”
B17 - Lede Xian - Georgia Tech University -
“Diffusion of Si and C atoms on and between graphene layers”
B18 - Xiao Xu - Waker Forest University -
“Projector Augmented Wave (PAW) Implementation of Hartree-Fock Formalism”
B19 - Li Yang - Washington University -
First-principles study of the optical absorption spectra of electrically gated bilayer graphene”
B20 - Joseph Yasi - University of Illinois Urbana-Champaign - Mg prismatic and basal dislocation/solute interactions from first principles”
B21 - Alexey Zayak - Molecular Foundry/LBNL -
“First-Principles Studies of Chemical Raman Enhancement for Organic Adsorbates at Metal Surfaces”
B22 - Yunkai Zhou - Southern Methodist University -
Diagonalization-free real space DFT calculations using Chebyshev filtered subspace iteration”