Monday, February 27, 2012
8:00AM - 8:12AM
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A39.00001: Ab initio calculation of atomic level stress in intermetallic compounds and glasses
Madhusudan Ojha, Don M. Nicholson, Takeshi Egami
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Monday, February 27, 2012
8:12AM - 8:24AM
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A39.00002: Towards ab initio simulation of solid state materials at 10 nm scale
Yang Wang, G. Malcolm Stocks, Don M. Nicholson, Odbadrakh Khorgolkhuu, Aurelian Rusanu
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Monday, February 27, 2012
8:24AM - 8:36AM
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A39.00003: Distributed Network-Based Verification and Validation of Electronic Structure Computations using ESTEST
Gary Yuan, Francois Gygi
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Monday, February 27, 2012
8:36AM - 8:48AM
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A39.00004: Calculation of quasi particle energies using a spectral decomposition of the static dielectric matrix: application to molecules and nanoparticles
T. Anh Pham, Huy-Viet Nguyen, Dario Rocca, Giulia Galli
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Monday, February 27, 2012
8:48AM - 9:00AM
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A39.00005: First-principles calculations of quasiparticle energies of open-shell condensed matter systems
Johannes Lischner, Jack Deslippe, Manish Jain, Steven G. Louie
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Monday, February 27, 2012
9:00AM - 9:12AM
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A39.00006: On the accuracy of the G$^0$W$^0$ method: From Si to ZnO
Peihong Zhang, Zhijun Yi, Bi-Ching Shih, Jack Deslippe, Steven G. Louie
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Monday, February 27, 2012
9:12AM - 9:24AM
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A39.00007: A Comparison of Different Treatments of Spin-Orbit Coupling within the GW Approach
Brad Barker, Jack Deslippe, Oleg V. Yazyev, Steven G. Louie
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Monday, February 27, 2012
9:24AM - 9:36AM
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A39.00008: Dielectric screening : Effects of Core Polarization on Phonons and Quasiparticle Bands
Amandeep Kaur, Erik Ylvisaker, Deyu Lu, Giulia Galli, Warren Pickett
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Monday, February 27, 2012
9:36AM - 9:48AM
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A39.00009: Novel approach to electron partitioning and definitive oxidation state assignment in solids
Lai Jiang, Sergey Levchenko, Andrew Rappe
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Monday, February 27, 2012
9:48AM - 10:00AM
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A39.00010: On the Formation of XLi$_{3}$N$_{2}$ Compounds (X = Sc-Zn)
Jan Herbst, Louis Hector, Jr.
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Monday, February 27, 2012
10:00AM - 10:12AM
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A39.00011: Surface Studies with Combined Free Energy Functionals of Electronic and Liquid Densities
Kendra Letchworth Weaver, Ravishankar Sundararaman, Tom\'as Arias
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Monday, February 27, 2012
10:12AM - 10:24AM
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A39.00012: Origin of magnetic interactions and their influence on the structural properties of Ni2MnGa and related compounds
Burak Himmetoglu, Matteo Cococcioni
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Monday, February 27, 2012
10:24AM - 10:36AM
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A39.00013: Redshift of excitons in carbon nanotubes caused by the environment polarizability: A BSE study
Michael Rohlfing
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Monday, February 27, 2012
10:36AM - 10:48AM
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A39.00014: Vibrational properties of correlated systems from ab-initio calculations
Matteo Cococcioni, Burak Himmetoglu, Andrea Floris
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Monday, February 27, 2012
10:48AM - 11:00AM
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A39.00015: Effect of strong correlations on the electronic and transport properties of porphyrin wires
Victor Manuel Garcia Suarez, Ruben Ferradas, Jaime Ferrer
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