Thursday 15 April
| Time | General sessions: Nob Hill C & D |
Breakout 1: Pacific A |
Breakout 2: Pacific B |
Breakout 3: Pacific C |
| 7:00 | Breakfast | |||
| 8:00–8:30 | Welcoming Remarks NSF/EC | |||
| 8:30–9:15 | Keynote: B. Freund Brown University Computation in the study of strain-coupled processes in small semiconductor material structures |
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| 9:15–10:00 | Keynote: S. Schmauder IMWF, University of Stuttgart From Atomistics to Material Behaviour |
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| 10:00–10:30 | Coffee Break | |||
| 10:30–11:00 | A. Acharya Carnegie Mellon University Reduction of degrees of freedom in nonlinear systems: self-intersecting trajectories, history-dependence, and all that.... |
M. Müller University Mainz Stability and structure formation in thin polymer films |
F. Cargnoni Instituto di Scienze e Tecnologie Molecolari — CNR Studies of semiconductor surfaces, point defects and thermoelectric materials by first principles approaches |
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| 11:00–11:30 | T. Coupez Ecole des Mines de Paris Numerical simulation of material forming processes: present achievements and future challenges |
R. Selinger Catholic University Two-Dimensional Studies of Dislocation Patterning and Size Effects in Plasticity |
T. Arias Cornell University Rigorous multiscale density functional calculations |
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| 11:30–12:00 | L. Anand Massachusetts Institute of Technology Crystal-plasticity and grain-boundary slip and separation: application to the deformation andfracture response of nanocrystalline metals |
A. Ivankovic University College Dublin The use of Finite Volume in Modelling Fracture of polymers and related problems |
A. Andriotis Foundation for Research and Technology — Hellas (FORTH) Tight Binding Molecular Dynamics : An efficient computational tool for studying transport properties of C- and Si-based branched nanotubes |
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| 12:00–1:00 | Lunch | |||
| 1:00–1:45 | Keynote: H. Van Swygenhoven Paul Scherrer Inst. Atomistic simulations for mechanical properties on nanostructured metals: benefits and limitations |
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| 1:45–2:30 | Keynote: M.L. Cohen University of California at Berkeley Conceptual and Computational Progress in Modeling Materials |
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| 2:30–3:00 | Coffee Break | |||
| 3:00–3:30 |
L. Mitas North Carolina State University Quantum Monte Carlo Methods for the Electronic Structure Problem in Materials |
D. Kroll University of Minnesota Mesoscale Modeling of Soft Condensed Matter: Application to Complex Fluids and Membranes |
T. Schrefl Vienna University of Technology Multiscale modelling of magneto-electronic devices |
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| 3:30–4:00 | E. Busso Imperial College London A Multiscale crystallographic approach for materials with heterogeneous micro-structures |
J. Harding University College London The application of hyperdynamics techniques to film growth in ceramics |
S. Sinnott University of Florida Computational Investigation of Fluorocarbon Plasma Modification of Polymers |
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| 4:00–4:15 | Discussion | |||
| 4:15–5:00 | Breakout on Electronic & Magnetic Mater. | Breakout on Soft Materials Organic&Bio | Breakout on Structural Materials | |
| 5:00–5:30 | Discussion | |||
| Dinner |
Friday 16 April
| Time | General sessions: Nob Hill C & D |
Breakout 1: Pacific A |
Breakout 2: Pacific B |
Breakout 3: Pacific C |
| 7:00–8:00 | Breakfast | |||
| 8:15–9:00 | Keynote: K. Kurzydlowski Warsaw University of Technology The quantitative description and modelling of microstructure sensitive properties of engineering materials |
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| 9:00–9:30 | A. Shluger University College London Multiscale computational modeling of defect processes at oxide interfaces |
P. Rikvold Florida State University Dependence of interface mobility and nucleation rates on the detailed transition probabilities in kinetic Monte Carlo simulations. |
D. Brenner North Carolina State University First Principles and Molecular Modeling Studies of AlN Deposition via Vapor Transport |
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| 9:30–10:00 | R. Kalia University of Southern California Dynamic Fracture in Nanostructured Materials |
Y. Estrin Clausthal University of Technology, Germany Modelling of Strength, Thermal Stability and Manufacturing of Bulk Nanocrystalline Materials |
N. Spaldin University of California at Santa Barbara Computational design of new spintronic materials |
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| 10:00–10:30 | Coffee Break | |||
| 10:30–11:00 | M. Marder The University of Texas Atomic Effects in Fracture |
S. Glotzer University of Michigan Materials Theory and Simulation for Bio-inspired Nanofabrication: Challenges and Opportunities |
P. Kelly University of Twente Parameter-free electronic transport: spintronics and molecular electronics |
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| 11:00–11:30 | E. Gamsjaeger U. Leoben Modelling of precipitation in complex multiphase systems — from Monte Carlo simulation to multicomponent diffusion |
S. Kruch ONERA Multiscale based constitutive equations for metallic and composite materials |
S. Louie University of California at Berkeley Computing the Optical, Transport, and Mechanical Properties of Solids and Nanostructures |
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| 11:30–12:00 | M.Y. Chou Georgia Institute of Technology Electronic Quantum Size Effects in Metal Thin Films |
R. Phillips CalTech Biological Machines as Materials: Multiscale Challenges at the Physics/Biology Interface |
P. Dederichs IFF, Forschungszentrum Juelich Exchange interactions and Curie temperatures in diluted magnetic semiconductors |
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| 12:00–1:00 | Lunch | |||
| 1:00–1:30 | R. Haber University of Illinois Spacetime Discontinuous Galerkin Models For Multiscale Materials Modeling |
L. Gránásy Hungarian Academy of Sciences Phase field Theory of polycristalline freezing in far-from-equilibrium solids |
R. Car Princeton University Recent Advances in First Principles Molecular Dynamics: Reaction Pathways and Phase Transitions |
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| 1:30–2:00 | A. Greiner IMTEK, University of Freiburg Micro Powder Injection Molding: A Multiscale Materials Modeling and Process Simulation Challenge |
M. Robbins Johns Hopkins University Strategies for Multi-scale Modeling of Friction, Adhesion and Nano-Fluidics |
J. Chelikowsky University of Minnesota Predicting the Optical and Electronic Properties of Semiconductors at the Nanoscale |
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| 2:00–2:30 | M. Bachlechner West Virginia Universerity Molecular-Dynamics Simulations of Silicon/Silicon Nitride Interfaces |
J. Marian Universidad Politécnica de Madrid Tight Binding Molecular Dynamics : An efficient computational tool for studying transport properties of C- and Si-based branched nanotubes |
A. Voter Los Alamos National Laboratory Accelerated Molecular Dynamics Methods |
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| 2:30–3:00 | Coffee Break | |||
| 3:00–3:15 | Discussion | |||
| 3:15–4:00 | Breakout on Nano and Atomistic Scales | Breakout on Mesoscopic Scales | Breakout on Macroscopic Scales | |
| 4:00–4:30 | Summary |