Focused Session: Computational Nanoscience II

Presentations

• The effect of polytype on energy gap in SiC nano-clusters

  ORAL

  March 13, 2006, 2:30 PM – March 13, 2006, 2:42 PM

  Authors

  • Xihong Peng

  • Azar Alizadeh

  • Nitin Bhate

  • Larry Rowland

    • GE Global Research, Niskayuna, NY 12309

  • Saroj Nayak

    • Department of Physics, Applied Physics and Astronomy, Rensselaer Polytechnic Institute, Troy New York
    • Department of Physics, Applied Physics and Astronomy, Rensselaer Polytechnic Institute, Troy, New York

  • Sanat K. Kumar

    • RPI
    • Rensselaer Polytechnic Institute
    • Departments of Physics and Chemical Engineering, Rensselaer Polytechnic Institute, Troy, NY 12180
    • Departments of Physics and Chemical Engineering, Rensselaer Polytechnic Institute, Troy, NY 12810
    • Chemical and Biological Engineering

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• Structural and electronic properties of InP nanowires: role of surface dangling bonds on nanowire facets

  ORAL

  March 13, 2006, 2:42 PM – March 13, 2006, 2:54 PM

  Authors

  • Toru Akiyama

  • Kohji Nakamura

  • Tomonori Ito

    • Department of Physics Engineering, Mie University

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• Atomistic Simulations of Long-Range Strain and Close-Range Electronic Structure in Self-Assembled Quantum Dot Systems.

  ORAL

  March 13, 2006, 2:54 PM – March 13, 2006, 3:06 PM

  Authors

  • Gerhard Klimeck

    • Network for Computational Nanotechnology, Purdue University, W. Lafayette, IN 47907
    • Purdue University

  • Shaikh Ahmed

    • Dept. of Electrical and Computer Engr., Purdue University

  • Marek Korkusiniski

  • Seungwon Lee

  • Faisal Saied

    • Network for Computational Nanotechnology, Purdue University, W. Lafayette, IN 47907

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• Numerical modeling InAs/GaAs quantum ring capacitance spectroscopy using non-parabolic approximation.

  ORAL

  March 13, 2006, 3:06 PM – March 13, 2006, 3:18 PM

  Authors

  • Igor Filikhin

  • Vladimir Suslov

  • Branislav Vlahovic

    • North Carolina Central University

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• A charge patching method calculation of a quantum dot/quantum well nanosystem.

  ORAL

  March 13, 2006, 3:18 PM – March 13, 2006, 3:30 PM

  Authors

  • Joshua Schrier

  • Lin-Wang Wang

    • Computational Research Division , Lawrence Berkeley National Laboratory
    • Lawrence Berkeley National Lab, Berkeley CA 94720

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• Discrete size series of CdSe quantum dots: A combined computational and experimental investigation

  ORAL

  March 13, 2006, 3:30 PM – March 13, 2006, 3:42 PM

  Authors

  • Min Yu

  • Gayanath Fernando

  • Rongfu Li

  • Fotios Papadimitrakopoulos

  • Ning Shi

  • Ramamurthy Ramprasad

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• Excitonic absorption of million-atom (In,Ga)As/GaAs self-assembled quantum dots

  ORAL

  March 13, 2006, 3:42 PM – March 13, 2006, 3:54 PM

  Authors

  • Gustavo A. Narvaez

  • Alex Zunger

    • National Renewable Energy Laboratory, Golden, Colorado 80401

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• Optimized Configuration Interaction Method for Electronic Excitations in Nanostructures

  ORAL

  March 13, 2006, 3:54 PM – March 13, 2006, 4:06 PM

  Authors

  • Claudia Troparevsky

    • Oak Ridge National Laboratory and National Renewable Energy Laboratory

  • Alberto Franceschetti

    • National Renewable Energy Laboratory

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• Molecular models for nanoporous amorphous carbons via a novel monte carlo algorithm

  ORAL

  March 13, 2006, 4:06 PM – March 13, 2006, 4:18 PM

  Authors

  • Amit Kumar

  • Raul Lobo

  • Norman Wagner

    • Center for Mol. \& Eng. Thermodynamics, Dept. of Chemical Engineering, Univ. Delaware, Newark, DE 19711
    • Center for Mol. \& Eng. Thermodynamics, Dept. of Chem. Eng. Univ. of Delaware, Newark, DE 19711
    • Center for Mol. and Eng. Thermodynamics, Dept. of Chemical Engineering, Univ. of Delaware, Newark, DE 19711

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• Solvophobic Solvation Forces between Nanoparticles: Size, Shape, and Solvent Effects

  ORAL

  March 13, 2006, 4:18 PM – March 13, 2006, 4:30 PM

  Authors

  • Yong Qin

  • Kristen A. Fichthorn

    • The Pennsylvania State University
    • Pennsylvania State University

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• The Formation of Haeckelite Structures Induced by Vacancy Defects in Graphene Layers of Carbon Nanotube

  ORAL

  March 13, 2006, 4:30 PM – March 13, 2006, 4:42 PM

  Authors

  • Gun-Do Lee

    • Seoul National University

  • Cai-Zhuang Wang

    • Iowa State University

  • Euijoon Yoon

  • Nong-Moon Hwang

    • Seoul National University

  • Kai-Ming Ho

    • Iowa State University
    • US. DOE Ames Laboratory and Physics Department, Iowa State University

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• Viscoelastic Properties of Model Polymer Nanocomposites

  ORAL

  March 13, 2006, 4:42 PM – March 13, 2006, 4:54 PM

  Authors

  • James Thomin

  • Suchira Sen

  • Pawel Keblinski

    • Rensselaer Polytechnic Institute

  • Sanat K. Kumar

    • RPI
    • Rensselaer Polytechnic Institute
    • Departments of Physics and Chemical Engineering, Rensselaer Polytechnic Institute, Troy, NY 12180
    • Departments of Physics and Chemical Engineering, Rensselaer Polytechnic Institute, Troy, NY 12810
    • Chemical and Biological Engineering

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