Focused Session: Computational Nanoscience IV
ORAL · K32 ·
Presentations
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Trends in the structure of neutral, cationic, and anionic Ag and Au clusters from DFT calculations
ORAL
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Authors
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Ignacio L. Garzon
- Instituto de Fisica, UNAM
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Luis A. Perez
- Instituto de Fisica, UNAM
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Karo Michaelian
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Enantiospecific adsorption study at chiral gold nanoclusters from DFT calculations
ORAL
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Authors
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Xochitl Lopez-Lozano
- Instituto de Fisica, UNAM, Mexico.
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Luis A. Perez
- Instituto de Fisica, UNAM
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Ignacio L. Garzon
- Instituto de Fisica, UNAM
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Structural and electronic properties of sodium nanoclusters
ORAL
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Authors
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Luis A. Perez
- Instituto de Fisica, UNAM
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Juan A. Reyes-Nava
- IPICYT
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Ignacio L. Garzon
- Instituto de Fisica, UNAM
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Electron-Stimulated Emission of Na Atoms from NaCl Nanocubes
ORAL
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Authors
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Davide Ceresoli
- SISSA, INFM, Democritos, via Beirut 2-4, 34014 Trieste, Italy
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Tatyana Zykova-Timan
- SISSA, Trieste
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Erio Tosatti
- SISSA, Democritos, ICTP, P.O. Box 586, I-34014 Trieste, Italy
- SISSA, ICTP, and Democritos, Trieste (Italy)
- SISSA and ICTP, Trieste
- SISSA/ICTP/Democritos Trieste
- SISSA, INFM, Democritos, ICTP, P.O. Box 586, I-34014 Trieste, Italy
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Comparison of TDLDA and GW-Bethe-Salpeter Methods for Optical Excitations in Noble Metal Clusters
ORAL
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Authors
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Shing F. Yip
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Juan-Carlos Idrobo
- University of Illinois at Chicago
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Serdar Ogut
- University of Illinois at Chicago
- Department of Physics, University of Illinois at Chicago, Chicago IL 60607
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Murilo Tiago
- University of Minnesota, Twin Cities
- University of Minnesota
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James Chelikowsky
- University of Texas at Austin
- University of Texas
- The University of Texas at Austin
- Department of Physics and Chemical Engineering, Institute of Computational Engineering and Sciences, University of Texas, Austin, Texas 78712, USA
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Jinlan Wang
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Julius Jellinek
- Chemistry Division, Argonne National Laboratory, Argonne, IL 60439
- Chemistry Division, Argonne National Laboratory
- Argonne National Laboratory
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{\it Ab initio} calculations for the photoelectron spectra of iron clusters
ORAL
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Authors
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Shen LI
- Rutgers University
- Department of Physics and Astronomy, Rutgers the State University of New Jersey, Piscataway, NJ 08854,USA
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Manuel Alemany
- Universidade de Santiago de Compostela, Spain
- Departamento de F\'{\i}sica de la Materia Condensada,Facultad de F\'{\i}sica, Universidad de Santiago de Compostela, E-15872, Spain
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James Chelikowsky
- University of Texas at Austin
- University of Texas
- The University of Texas at Austin
- Department of Physics and Chemical Engineering, Institute of Computational Engineering and Sciences, University of Texas, Austin, Texas 78712, USA
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Size Dependence of the Static Polarizabilities and Absorption Spectra of Gold Clusters
ORAL
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Authors
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Serdar Ogut
- University of Illinois at Chicago
- Department of Physics, University of Illinois at Chicago, Chicago IL 60607
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Juan-Carlos Idrobo
- University of Illinois at Chicago
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Jinlan Wang
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Julius Jellinek
- Chemistry Division, Argonne National Laboratory, Argonne, IL 60439
- Chemistry Division, Argonne National Laboratory
- Argonne National Laboratory
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Interactions of water and oxygen molecules with gold clusters
ORAL
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Authors
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Seung Bum Suh
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Bokwon Yoon
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Minde Sun
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Uzi Landman
- School of Physics. Georgia Institute of Technology, Atlanta, GA 30332-0430
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Density-Functional Study of Au$_{n}$$^{-}$ ($n=16-24$): Atomic and Electronic Structures and Interaction with O$_{2}$
ORAL
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Authors
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Bokwon Yoon
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Uzi Landman
- Georgia Institute of Technology
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Pekka Koskinen
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Michael Moseler
- Fraunhofer Institute for Mechanics of Materials
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Hannu Hakkinen
- University of Jyvaskyla
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Properties of Pt$_{37}$ and Pt$_{6}$Ru$_{31}$ Clusters on Carbon: comparison of theory and experiment
ORAL
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Authors
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Lin-Lin Wang
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Duane Johnson
- Department of Materials Science and Engineering, and Materials Computation Center, University of Illinois at Urbana-Champaign
- Department of Materials Science and Engineering, UIUC
- Materials Science and Engineering, University of Ilinois Urbana-Champaign
- Department of Materials Science and Engineering, University of Illinois at Urbana-Champaign.
- Department of Materials Science and Engineering
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Structure and functionality of a prospective (Pt, Ru)/MgO nanocatalyst
ORAL
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Authors
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Ryszard Buczko
- Oak Ridge National Laboratory
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Albina Borisevich
- Oak Ridge National Laboratory
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Richard Adams
- University of South Carolina
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Michael Amiridis
- University of South Carolina
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Stephen Pennycook
- Oak Ridge National Laboratory
- Condensed Matter Sci. Div., ORNL
- ORNL
- Oak Ridge National laboratory
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Sokrates Pantelides
- Vanderbilt University
- Department of Physics and Astronomy, Vanderbilt University, Nashville, TN
- Department of Physics and Astronomy, Vanderbilt University
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Vibrational Dynamics and Thermodynamics of AgCu nanoparticles
ORAL
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Authors
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Abdelkader Kara
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Handan Yildirim
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Talat S. Rahman
- Kansas State University
- Physics Department, Kansas State University
- Department of Physics, Kansas State University, Manhattan, KS 66506
- Physics Department Kansas State University
- Department of Physics, Kansas State University, Manhattan, USA
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Ricardo Ferrando
- INFM and IMEM-CNR, Dipartimento di Fisica dell’Universita` di Genova, via Dodecaneso 33, 16146 Genova, Italy
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Selective modification of the surface structure of oxide nano-particles using sub-bandgap photons
ORAL
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Authors
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Alexander Shluger
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P. Trevisanutto
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P. Sushko
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A. Stoneham
- Department of Physics and Astronomy, University College London, Gower St., London, WC1E 6BT, UK
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M. Henyk
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K. Beck
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A. Joly
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W. Hess
- Pacific Northwest National Laboratory, P.O.Box 999, Richland, WA 99352 USA
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