Session Index

Session A6: Frontiers of Computational Materials

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Abstracts
Sponsoring Units: DCOMP
Chair: Stefano Curtarolo, Duke University
Room: Baltimore Convention Center 310


Monday, March 13, 2006
8:00AM - 8:36AM

 A6.00001: Multiscale Modeling of Solidification Microstructure: Atomic-Scale Simulations of Crystal-Melt Interfaces and Beyond
Invited Speaker: Mark Asta

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Monday, March 13, 2006
8:36AM - 9:12AM

 A6.00002: Reliable First-Principles Alloy Thermodynamics via Optimal, Truncated Cluster Expansions
Invited Speaker: Duane Johnson

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Monday, March 13, 2006
9:12AM - 9:48AM

 A6.00003: Realistic nanostructures from first-principles: fluxional handles to control the conductance of carbon nanotubes
Invited Speaker: Nicola Marzari

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Monday, March 13, 2006
9:48AM - 10:24AM

 A6.00004: Evolutionary approach for determining first-principles model Hamiltonians
Invited Speaker: Gus L. W. Hart

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Monday, March 13, 2006
10:24AM - 11:00AM

 A6.00005: Prediction of new crystal structure phases in metal borides
Invited Speaker: Aleksey Kolmogorov

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