Monday, October 17, 2005
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Morning Session
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8:00 - 8:50
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Check-In/Breakfast (Hosted by IPAM)
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8:50 - 9:00
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Welcome and Opening Remarks
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9:00 - 9:50
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Sidney Yip (Massachusetts Institute of Technology)
"Atomic-Level Measures of Strength, Deformation and Reactivity"
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9:50 - 10:20
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Break
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10:20 - 11:10
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Priya Vashishta (University of Southern California)
"MULTIMILLION ATOM SIMULATIONS OF NANOSYSTEMS - STRUCTURAL TRANSFORMATIONS IN NANOCRYSTALS, DYNAMICS OF OXIDATION, AND HYPERVELOCITY IMPACT DAMAGE "
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11:10 - 12:00
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Ashwin Ramasubramaniam (California Institute of Technology)
"Discrete Dislocation Dynamics in Crystals"
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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 - 2:50
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Efthimios (Tim) Kaxiras (Harvard University)
"Multiscale modeling of materials"
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2:50 - 3:20
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Break/Poster Session Set Up
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3:20 - 4:10
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Bo Persson (Forschungszentrum Jülich)
"Contact Mechanics and Adhesion between Elastic Bodies with Randomly Rough surfaces"
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4:10 - 5:00
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Uzi Landman (Georgia Institute of Technology)
"Nanohydrodynamics, Friction Forces and Amontons’ Law:from the molecular to the macroscopic sca"
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5:00 - 7:00
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Poster Session / Wine & Cheese Reception
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Tuesday, October 18, 2005
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Morning Session
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8:30 - 9:00
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Continental Breakfast
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9:00 - 9:50
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Anupam Madhukar (University of Southern California)
"Tetrahedrally Bonded Semiconductor Epitaxy: Maturing Technology, Immature Science?"
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9:50 - 10:20
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Break
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10:20 - 11:10
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Peter Kratzer (Fritz-Haber-Institut der Max-Planck-Gesellschaft)
"Growth-related Structural and Electronic Properties of InAs Quantum Dots on GaAs"
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11:10 - 12:00
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Christian Ratsch (UCLA)
"A Level-Set Method for Epitaxial Growth and Self-Organization of Quantum Dots"
Presentation (PowerPoint File)
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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 - 2:50
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Peter Smereka (University of Michigan)
"Computational Methods for the Simulation of Epitaxial Growth"
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2:50 - 3:20
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Break
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3:20 - 4:10
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Chaouqi Misbah (Centre National de la Recherche Scientifique (CNRS))
"Surface instabilities driven by stress "
Presentation (PowerPoint File)
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4:10 - 5:00
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Dimitri Vvedensky (Imperial College)
"Multiscale Theory of Nanostructure Self-Organization on Surfaces"
Presentation (PowerPoint File)
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Wednesday, October 19, 2005
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Morning Session
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8:30 - 9:00
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Continental Breakfast
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9:00 - 9:50
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Peter Voorhees (Northwestern University)
"Multiscale Modeling of Quantum Dot Formation on Surfaces"
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9:50 - 10:20
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Break
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10:20 - 11:10
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Jerry Tersoff (IBM Thomas J. Watson Research Center)
"Epitaxial nanostructures -- atomic-scale effects in continuum modeling "
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11:10 - 12:00
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Gerhard Klimeck (Purdue University)
"Atomistic simulations of long-range strain and close-range electronic structure in self-assembled quantum dot systems"
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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 - 2:50
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Jean-Pierre Leburton (University of Illinois at Urbana-Champaign)
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2:50 - 3:20
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Break
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3:20 - 4:10
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Karsten Reuter (Fritz-Haber-Institut der Max-Planck-Gesellschaft)
"First-principles statistical mechanics for heterogeneous catalysis"
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4:10 - 5:00
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Jim Evans (Iowa State University)
"From Atomic Scale Ordering to Mesoscale Spatial Patterns in Surface Reactions: A Heterogeneous Coupled Lattice-Gas (HCLG) Simulation Approach"
Presentation (PowerPoint File)
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Thursday, October 20, 2005
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Morning Session
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8:30 - 9:00
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Continental Breakfast
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9:00 - 9:50
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Jerry Bernholc (North Carolina State University)
"Atomic Scale Design of Nanostructures"
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9:50 - 10:20
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Break
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10:20 - 11:10
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David Tomanek (Michigan State University)
"Designing Carbon-Based Nanotechnology on a Supercomputer "
Presentation (PDF File)
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11:10 - 12:00
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Michael Biehl (Rijksuniversiteit te Groningen)
"Off-lattice KMC simulations of hetero-epitaxial growth: the formation of nano-structured surface alloys"
Presentation (PowerPoint File)
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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 - 2:50
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Robert Rudd (Lawrence Livermore National Laboratory)
"Connecting Atomistic and Continuum Level Modeling of Void Growth and Coalescence in Ductile Metals"
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2:50 - 3:20
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Break
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3:20 - 5:00
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Panel Discussion
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Friday, October 21, 2005
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Morning Session
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8:00 - 8:55
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Check-In/Breakfast (Hosted by IPAM)
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8:55 - 9:00
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Welcome and Opening Remarks
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9:00 - 9:50
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Graeme Henkelman (University of Texas at Austin)
"Sintering dynamics of small Pd clusters on the MgO(100) surface"
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9:50 - 10:20
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Break
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10:20 - 11:10
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Peter Bolhuis (University of Amsterdam)
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11:10 - 12:00
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Normand Mousseau (Université de Montréal)
"POP-ART: The Properly-Obeying Probability Activation-Relaxation Technique"
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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 - 2:50
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Steve Stuart (Clemson University)
"Hyperdynamics Approaches to Energetically and Entropically Rare Events"
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2:50 - 3:20
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Break/Poster Session Set Up
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3:20 - 4:10
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Blas Uberuaga (Los Alamos National Laboratory)
"Parallel-Replica Dynamics: Method and Applications"
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4:10 - 5:00
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Kristen Fichthorn (Pennsylvania State University)
"Time Acceleration Methods in Atomistic Simulations"
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5:00 - 7:00
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Poster Session / Wine & Cheese Reception
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Saturday, October 22, 2005
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Morning Session
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8:30 - 9:00
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Continental Breakfast
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9:00 - 9:50
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David Wales (University of Cambridge)
"Energy Landscapes and Discrete Path Sampling"
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9:50 - 10:20
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Break
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10:20 - 11:10
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Dionisios Vlachos (University of Delaware)
"Multiscale Methods for Stochastic Simulation"
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11:10 - 12:00
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Jacques Amar (University of Toledo)
"Simulating Extended Time and Length Scales using Parallel Kinetic Monte Carlo and Parallel Accelerated Dynamics"
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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 - 2:20
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Francesco Montalenti (Università di Milano - Bicocca)
"Tackling the time-scale problem in molecular dynamics simulations of rare events: the temperature-accelerated dynamics method"
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2:20 - 2:50
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Yannis Kevrekides (Princeton University)
"An equation-free approach to accelerating complex/multiscale simulations"
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2:50 - 3:40
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Break
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