NANO2002 Workshop IV: Modeling and Simulation for Materials - IPAM

NANO2002 Workshop IV: Modeling and Simulation for Materials

Part of the Long Program Mathematics in Nanoscale Science and Engineering
November 19 - 22, 2002

Schedule

All times in this Schedule are Pacific Time (PT)

Tuesday, November 19, 2002

Morning Session

08:30-09:30
Check-In/Light Breakfast (Hosted by IPAM)
09:30-10:30
Efthimios (Tim) Kaxiras (Harvard University)
Simulations of complex systems across multiple length scales
10:30-11:00
Break
11:00-12:00
Emily Carter (Princeton University)
Revisiting Old Ideas: Cohesive Laws of Fracture and Solving Directly for Electron Densities of Materials

Afternoon Session

12:00-14:00
Lunch (on your own)
14:00-15:00
Weitao Yang (Duke University)
Simulation of chemical reactions in enzymes with a DFT QM/MM free energy method
15:00-16:00
Dieter Wolf (Argonne National Lab)
Multiscale Simulation of Grain Growth in Nanocrystalline Thin Films*
16:00-16:30
Break
16:30-17:30
William Goddard (California Institute of Technology)
Multi Scale Materials Design
17:30-19:00
Wine/Cheese Reception (Hosted by IPAM)

Wednesday, November 20, 2002

Morning Session

09:00-09:30
Check-In/Light Breakfast (Hosted by IPAM)
09:30-10:30
Russel Caflisch (New York University)
Simulation for Epitaxial Growth with Strain
10:30-11:00
Break
11:00-12:00
Arthur Voter (Los Alamos National Laboratory)
Accelerated Molecular Dynamics Methods

Afternoon Session

12:00-13:30
Lunch (on your own)
13:30-14:30
Weinan E (Princeton University)
Heterogeneous multiscale modeling
14:30-15:30
Rob Phillips (California Institute of Technology)
Physics of DNA Packing: From Viruses to Chromosomes
15:30-16:00
Break
16:00-17:00
Tamar Schlick (New York University)
Mesoscale modeling of chromosomal DNA
17:00-18:00
Christopher Wolverton (Ford Motor Company)
The Role of Quantum Mechanics in Virtual Aluminum Castings
18:00-19:15
Dinner (Hosted by IPAM)

Thursday, November 21, 2002

Morning Session

09:00-09:30
Check-In/Light Breakfast (Hosted by IPAM)
09:30-10:30
George Gilmer (Lawrence Livermore National Laboratory)
Atomistic modeling of silicon device processing, front and back ends.
10:30-11:30
David Srolovitz (Yeshiva University)
Facetted Film Growth
11:30-11:45
Break
11:45-12:45
Peter Smereka (University of Michigan)
Hybrid Methods for Computing Expitaxial Growth

Afternoon Session

12:45-14:00
Lunch (on your own)
14:00-15:00
Mark Gyure (HRL Laboratories, LLC)
Ab-initio based modeling of III-V semiconductor surface equilibrium and growth
15:00-16:00
Achi Brandt (Weizmann Institute of Science)
Systematic Upscaling of Molecular Computation

Friday, November 22, 2002

Morning Session

09:00-09:30
Check-In/Light Breakfast (Hosted by IPAM)
09:30-10:30
Boris Yakobson (Rice University)
Learning nanomechanics of the ~1D-materials: wires, tubes and their siblings
10:30-11:00
Break
11:00-12:00
Gerhard Hummer (National Institute of Health)
Water and proton transport through hydrophobic channels: from carbon nanotubes to proteins

Afternoon Session

12:00-14:00
Lunch (on your own)
14:00-15:00
Michael Griebel (Rheinische Friedrich-Wilhelms-Universität Bonn)
Multiscale methods in nano- and biotechnology
15:00-16:00
Antonio Redondo (Los Alamos National Laboratory)
Current Issues in modeling and simulation of nanomaterials
16:00-16:30
Break
16:30-17:30
Mitchell Luskin (University of Minnesota)
Metastability, Phase Transformation, and Microstructure in Structural Phase Transformations
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