Session D27: Focus Session: Novel Computational Algorithms I

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Sponsoring Units: DCOMP
Chair: Francois Gygi, University of California, Davis
Baltimore Convention Center - 324


Monday, March 13, 2006
2:30PM - 3:06PM

D27.00001: Linear scaling techniques for the solution of the time-dependent Schr\"{o}dinger equation
Invited Speaker: Suxing Hu

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Monday, March 13, 2006
3:06PM - 3:18PM

D27.00002: Solution of the Time-Dependent Schroedinger Equation using a Real Space Product Finite Element Discrete Variable Representation (RSPFEDVR)
Barry Schneider , Lee Collins , Suxing Hu

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Monday, March 13, 2006
3:18PM - 3:30PM

D27.00003: A Nonlinear Finite Difference Scheme for the Time-Dependent Schrodinger Equation
Ronald Mickens

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Monday, March 13, 2006
3:30PM - 3:42PM

D27.00004: Efficient Boundary Integral Method for Quantum Billiards
Harald G.L. Schwefel , Hakan E. T\"ureci , A. Douglas Stone

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Monday, March 13, 2006
3:42PM - 4:18PM

D27.00005: Quantum Computation for Quantum Chemistry
Invited Speaker: Alan Aspuru-Guzik

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Monday, March 13, 2006
4:18PM - 4:30PM

D27.00006: The ``Inverse Band Structure ( IBS) Approach'' for designer nanostructures and designer impurities in semiconductors.
Alex Zunger , S. Dudiy

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Monday, March 13, 2006
4:30PM - 4:42PM

D27.00007: A Real-Space Genetic Algorithm for Crystal Structure Determination
Luke Abraham , Matt Probert

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Monday, March 13, 2006
4:42PM - 4:54PM

D27.00008: Traveling the configurational space of binary alloys
G. Trimarchi , S. V. Barabash , A. Zunger

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Monday, March 13, 2006
4:54PM - 5:06PM

D27.00009: Simulating Charged Systems with the Geometric Cluster Algorithm
Stephen Barr , Erik Luijten

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Monday, March 13, 2006
5:06PM - 5:18PM

D27.00010: Multi-physics/scale simulations using particles
Petros Koumoutsakos

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Monday, March 13, 2006
5:18PM - 5:30PM

D27.00011: Algorithmic Refinements for Multicanonical System Measurements
David Yevick , Tao Lu , Derek Dumas , Michael Reimer , Witold Bardyszewski , Brett Hamilton

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