Session A25: Focus Session: Computational Nanoscience I

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Sponsoring Units: DMP DCOMP DAMOP
Chair: J.R. Manson, Clemson University
LACC - 501A


Monday, March 21, 2005
8:00AM - 8:36AM

A25.00001: Future directions in the simulation of nanomaterials
Invited Speaker: Marshall Stoneham

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Monday, March 21, 2005
8:36AM - 8:48AM

A25.00002: QMC with a Stochastic Poisson Solver: An application to realistic models of quantum dots
Dyutiman Das , Jeongnim Kim , Richard Martin

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Monday, March 21, 2005
8:48AM - 9:00AM

A25.00003: Quantum Monte Carlo Simulations of Exciton-Exciton Scattering in Quantum Wells
John Shumway

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Monday, March 21, 2005
9:00AM - 9:12AM

A25.00004: Quantum Perturbation Theory in O(N): Ab initio response theory for nanomaterials
Anders Niklasson

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Monday, March 21, 2005
9:12AM - 9:24AM

A25.00005: Efficient Computational Methods to Treat Multiple Scattering in Electron Diffraction by Nanostructures
G.M. Gavaza , Z.X. Yu , L. Tsang , C.H. Chan , S.Y. Tong , M.A. Van Hove

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Monday, March 21, 2005
9:24AM - 9:36AM

A25.00006: New Theoretical Method for Molecular Systems and Nano-molecules
Junho Jeong

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Monday, March 21, 2005
9:36AM - 9:48AM

A25.00007: Adaptive Quantum Design for Nanoscience
Stephan Haas , Jason Thalken , Anthony Levi

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Monday, March 21, 2005
9:48AM - 10:00AM

A25.00008: A numerically tractable method for a non-uniform electron gas system with an atomic center
Koichi Kusakabe , Masanori Takahashi , Naoshi Suzuki

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Monday, March 21, 2005
10:00AM - 10:12AM

A25.00009: Time-dependent quantum process for electrons assisted by oscillating electric field
Masakazu Muraguchi , Kyozaburo Takeda , Yusuke Asari , Naoki Watanabe

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Monday, March 21, 2005
10:12AM - 10:24AM

A25.00010: Using quantum mechanics to synthesize electronic devices
Petra Schmidt , Stephan Haas , Anthony Levi

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Monday, March 21, 2005
10:24AM - 10:36AM

A25.00011: Coupling Classical Molecular Dynamics Simulations to Continuum Current and Heat Flow Equations: Application to Frictional and Resistive Heating of Nanoscale Metal Contacts
Clifford Padgett , David Schall , Donald Brenner

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Monday, March 21, 2005
10:36AM - 10:48AM

A25.00012: The Solution of the Interior Eigenvalue Problem for Large Scale Nanosystems
Andrew Canning , Lin-Wang Wang , Osni Marques , Julien Langou

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Monday, March 21, 2005
10:48AM - 11:00AM

A25.00013: Choosing a Classical Potential in Multi-Scale Modeling
Aditi Mallik , Krishna Muralidharan , DeCarlos Talyor , Keith Runge , James Dufty

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