Tuesday, March 16, 2010
2:30PM - 2:42PM
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L20.00001: Global structure optimization of complex systems
Cai-zhuang Wang
, Min Ji
, Kai-ming Ho
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Tuesday, March 16, 2010
2:42PM - 2:54PM
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L20.00002: Molecular Dynamic Studies on Controlled Synthesis of Carbon Nanotube Junctions
Jun-Qiang Lu
, Lan He
, Hanqing Jiang
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Tuesday, March 16, 2010
2:54PM - 3:06PM
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L20.00003: Quantum Boundary Effect on Electronic Structures of Nanomaterials
Y.Y. Sun
, Kyuho Lee
, D. West
, S.B. Zhang
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Tuesday, March 16, 2010
3:06PM - 3:42PM
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L20.00004: Design of Nanostructured Materials for Electronic, Thermoelectric, and Optoelectronic Applications
Invited Speaker:
Irena Knezevic
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Tuesday, March 16, 2010
3:42PM - 3:54PM
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L20.00005: Tailoring the Electronic Structure by Alloying: Ag$_{n}$Cu$_{34-n}$ Nanoparticle Family
Handan Yildirim
, Abdelkader Kara
, Talat S. Rahman
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Tuesday, March 16, 2010
3:54PM - 4:06PM
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L20.00006: \textit{Ab initio} calculations of pre-exponential factors for the diffusion of CO on Ag(001): importance of the full phonon dispersion.
Marisol Alcantara Ortigoza
, Rolf Heid
, Klaus-Peter Bohnen
, Talat S. Rahman
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Tuesday, March 16, 2010
4:06PM - 4:18PM
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L20.00007: Towards Nano-Materials with Precise Control over Properties via Cluster-Assemblies
Meichun Qian
, Arthur Reber
, Shiv Khanna
, Angel Ugrinov
, Nirmalya Chaki
, Sukhendu Mandal
, H\'{e}ctor Saavedra
, Ayusman Sen
, Paul Weiss
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Tuesday, March 16, 2010
4:18PM - 4:30PM
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L20.00008: A mechanistic density functional study of partial oxidation of propene on supported subnanometer silver clusters
Jeffery P. Greeley
, Faisal Mehmood
, Stefan Vajda
, Larry A. Curtiss
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Tuesday, March 16, 2010
4:30PM - 4:42PM
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L20.00009: Molecular dynamics study of phase transition in substrate-supported nanoparticles of bcc metals
Yasushi Shibuta
, Toshio Suzuki
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Tuesday, March 16, 2010
4:42PM - 4:54PM
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L20.00010: Enhanced Static Approximations for Efficient Calculation of Electronic Excitation Energies
Wei Kang
, Mark S. Hybertsen
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Tuesday, March 16, 2010
4:54PM - 5:06PM
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L20.00011: From Microstructures to Predict Properties of Materials
Ke-Gang Wang
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Tuesday, March 16, 2010
5:06PM - 5:18PM
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L20.00012: First-Principles Studies of the Electronic and Vibrational Properties of \textit{sila-}Diamondoids
Steven Richardson
, Uros Novakovski
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