Focus Session: Computational Design of New Materials -- Nanostructure Design
FOCUS · L20 ·
Presentations
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Global structure optimization of complex systems
ORAL
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Authors
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Cai-Zhuang Wang
- Ames Laboratory, U.S. Department of Energy
- Iowa State University
- Ames Laboratory, U.S. DOE and Department of Physics and Astronomy, Iowa State University, Ames, Iowa 50011, USA
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Min Ji
- Ames Laboratory, U.S. DOE and Department of Physics and Astronomy, Iowa State University, Ames, Iowa 50011, USA
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Kai-ming Ho
- Department of Physics, Ames Laboratory, U.S. Department of Energy
- Iowa State University
- Ames Laboratory, U.S. DOE and Department of Physics and Astronomy, Iowa State University, Ames, Iowa 50011, USA
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Molecular Dynamic Studies on Controlled Synthesis of Carbon Nanotube Junctions
ORAL
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Authors
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Jun-Qiang Lu
- University of Puerto Rico at Mayaguez
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Lan He
- Arizona State University
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Hanqing Jiang
- Arizona State University
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Quantum Boundary Effect on Electronic Structures of Nanomaterials
ORAL
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Authors
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Y.Y. Sun
- Department of Physics, Applied Physics, and Astronomy, Rensselaer Polytechnic Institute, Troy, NY 12180
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Kyuho Lee
- Department of Physics and Astronomy, Rutgers University, Piscataway, NJ 08854
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D. West
- Department of Physics, Applied Physics, and Astronomy, Rensselaer Polytechnic Institute, Troy, NY 12180
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S.B. Zhang
- Department of Physics, Applied Physics, and Astronomy, Rensselaer Polytechnic Institute, Troy, NY 12180
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Design of Nanostructured Materials for Electronic, Thermoelectric, and Optoelectronic Applications
COFFEE_KLATCH · Invited
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Authors
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Irena Knezevic
- University of Wisconsin Madison
- University of Wisconsin - Madison
- University of Wisconsin-Madison
- Electrical Engineering Dept., University of Wisconsin-Madison
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Tailoring the Electronic Structure by Alloying: Ag$_{n}$Cu$_{34-n}$ Nanoparticle Family
ORAL
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Authors
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Handan Yildirim
- University of Central Florida
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Abdelkader Kara
- University of Central Florida
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Talat S. Rahman
- Department of Physics and NSTC, University of Central Florida
- Department of Physics and NSTC, University of Central Florida, Orlando, FL 32816
- University of Central Florida
- Dept. of Physics and NSTC, University of Central Florida, Orlando, FL 32816
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\textit{Ab initio} calculations of pre-exponential factors for the diffusion of CO on Ag(001): importance of the full phonon dispersion.
ORAL
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Authors
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Marisol Alcantara Ortigoza
- University of Central Florida
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Rolf Heid
- Karlsruher Institut f\"ur Technologie
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Klaus-Peter Bohnen
- Karlsruher Institut f\"ur Technologie
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Talat Rahman
- University of Central Florida
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Towards Nano-Materials with Precise Control over Properties via Cluster-Assemblies
ORAL
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Authors
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Meichun Qian
- Department of Physics, Virginia Commonwealth University, Richmond, VA 23284
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Arthur Reber
- Department of Physics, Virginia Commonwealth University, Richmond, VA 23284
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Shiv Khanna
- Department of Physics, Virginia Commonwealth University, Richmond, VA 23284
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Angel Ugrinov
- Departments of Chemistry and Physics, The Pennsylvania State University, University Park, PA 16802
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Nirmalya Chaki
- Departments of Chemistry and Physics, The Pennsylvania State University, University Park, PA 16802
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Sukhendu Mandal
- Departments of Chemistry and Physics, The Pennsylvania State University, University Park, PA 16802
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H\'{e}ctor Saavedra
- Departments of Chemistry and Physics, The Pennsylvania State University, University Park, PA 16802
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Ayusman Sen
- Departments of Chemistry and Physics, The Pennsylvania State University, University Park, PA 16802
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Paul Weiss
- Departments of Chemistry and Physics, The Pennsylvania State University, University Park, PA 16802
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A mechanistic density functional study of partial oxidation of propene on supported subnanometer silver clusters
ORAL
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Authors
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Jeffery P. Greeley
- Argonne National Laboratory
- Center for Nanoscale Materials, Argonne National Laboratory
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Faisal Mehmood
- Argonne National Laboratory
- Materials Science Division, Argonne National Laboratory
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Stefan Vajda
- Argonne National Laboratory
- Center for Nanoscale Materials and Materials Science Division, Argonne National Laboratory
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Larry A. Curtiss
- Argonne National Laboratory
- Center for Nanoscale Materials and Materials Science Division, Argonne National Laboratory
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Molecular dynamics study of phase transition in substrate-supported nanoparticles of bcc metals
ORAL
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Authors
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Yasushi Shibuta
- The University of Tokyo
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Toshio Suzuki
- The University of Tokyo
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Enhanced Static Approximations for Efficient Calculation of Electronic Excitation Energies
ORAL
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Authors
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Wei Kang
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Mark S. Hybertsen
- Center for Functional Nanomaterials, Brookhaven National Laboratory
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From Microstructures to Predict Properties of Materials
ORAL
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Authors
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Ke-Gang Wang
- Florida Institute of Technology
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First-Principles Studies of the Electronic and Vibrational Properties of \textit{sila-}Diamondoids
ORAL
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Authors
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Steven Richardson
- Howard University
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Uros Novakovski
- Howard University
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