Session: Integrating Diverse Computational Approaches to Complex Problem Solving


COMP		Wednesday, March 26, 2003

1:30 PM-5:10 PM Convention Center -- Room 267,Oral
Integrating Diverse Computational Approaches to Complex Problem Solving
Materials and Surfaces
Organizer, Presiding:	Anne M. Chaka
Organizer:	Angela K. Wilson
1:30 PM	305	Coupling chemistry and physics into mechanical engineering models of materials response Robin L. Hayes, Baojing Zhou, De-en Jiang, Matthew Fago, Santiago Serebrinsky, Michael Ortiz, Emily A Carter
2:10 PM	306	From first-principles to industrial reactor models: The catalytic hydrogenation of acetylene Matthew Neurock, Priyam A. Sheth, C. Michael Smith
2:50 PM	307	Quantum chemistry of point defects in silica Krishnan Raghavachari
3:30 PM		Intermission
3:50 PM	308	Subsystem functionals in density-functional theory Ann E. Mattsson, Rickard Armiento
4:30 PM	309	Mesoscopic computer modeling of laser ablation Barbara J. Garrison, Yaroslava G. Yingling, Leonid V. Zhigilei

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