Tuesday, November 19, 2002
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Morning Session
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8:30 - 9:30
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Check-In/Breakfast (Hosted by IPAM)
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9:30 - 10:30
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Efthimios (Tim) Kaxiras (Harvard University)
"Simulations of complex systems across multiple length scales"
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10:30 - 11:00
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Break
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11:00 - 12:00
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Emily Carter (UCLA)
"Revisiting Old Ideas: Cohesive Laws of Fracture and Solving Directly for Electron Densities of Materials"
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12:00 - 2:00
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Lunch (on your own)
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Afternoon Session
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2:00 - 3:00
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Weitao Yang (Duke University)
"Simulation of chemical reactions in enzymes with a DFT QM/MM free energy method"
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3:00 - 4:00
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Dieter Wolf (Argonne National Lab)
"Multiscale Simulation of Grain Growth in Nanocrystalline Thin Films*"
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4:00 - 4:30
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Break
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4:30 - 5:30
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William Goddard (California Institute of Technology)
"Multi Scale Materials Design"
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5:30 - 7:00
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Wine/Cheese Reception (Hosted by IPAM)
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Wednesday, November 20, 2002
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Morning Session
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9:00 - 9:30
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Check-In/Breakfast (Hosted by IPAM)
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9:30 - 10:30
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Russel Caflisch (UCLA)
"Simulation for Epitaxial Growth with Strain"
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10:30 - 11:00
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Break
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11:00 - 12:00
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Arthur Voter (Los Alamos National Laboratory)
"Accelerated Molecular Dynamics Methods"
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12:00 - 1:30
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Lunch (on your own)
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Afternoon Session
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1:30 - 2:30
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Weinan E (Princeton University)
"Heterogeneous multiscale modeling"
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2:30 - 3:30
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Rob Phillips (California Institute of Technology)
"Physics of DNA Packing: From Viruses to Chromosomes"
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3:30 - 4:00
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Break
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4:00 - 5:00
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Tamar Schlick (New York University)
"Mesoscale modeling of chromosomal DNA"
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5:00 - 6:00
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Christopher Wolverton (Ford Motor Company)
"The Role of Quantum Mechanics in "Virtual Aluminum Castings""
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6:00 - 7:15
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Dinner (Hosted by IPAM)
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Thursday, November 21, 2002
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Morning Session
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9:00 - 9:30
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Check-In/Breakfast (Hosted by IPAM)
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9:30 - 10:30
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George Gilmer (Lawrence Livermore National Laboratory)
"Atomistic modeling of silicon device processing, front and back ends."
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10:30 - 11:30
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David Srolovitz (Princeton University)
"Facetted Film Growth"
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11:30 - 11:45
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Break
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11:45 - 12:45
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Peter Smereka (University of Michigan)
"Hybrid Methods for Computing Expitaxial Growth"
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12:45 - 2:00
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Lunch (on your own)
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Afternoon Session
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2:00 - 3:00
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Mark Gyure (HRL Laboratories)
"Ab-initio based modeling of III-V semiconductor surface equilibrium and growth"
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3:00 - 4:00
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Achi Brandt (Weizmann Institute of Science)
"Systematic Upscaling of Molecular Computation"
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Friday, November 22, 2002
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Morning Session
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9:00 - 9:30
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Check-In/Breakfast (Hosted by IPAM)
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9:30 - 10:30
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Boris Yakobson (Rice University)
"Learning nanomechanics of the ~1D-materials: wires, tubes and their siblings"
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10:30 - 11:00
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Break
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11:00 - 12:00
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Gerhard Hummer (National Institute of Health)
"Water and proton transport through hydrophobic channels: from carbon
nanotubes to proteins"
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12:00 - 2:00
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Lunch (on your own)
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Afternoon Session
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2:00 - 3:00
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Michael Griebel (University of Bonn, Germany)
"Multiscale methods in nano- and biotechnology "
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3:00 - 4:00
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Antonio Redondo (Los Alamos National Laboratory)
"Current Issues in modeling and simulation of nanomaterials"
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4:00 - 4:30
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Break
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4:30 - 5:30
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Mitchell Luskin (University of Minnesota, Twin Cities)
"Metastability, Phase Transformation, and Microstructure in Structural Phase Transformations"
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