US-EU Workshop Program

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
9:15–10:00	Keynote: S. Schmauder IMWF, University of Stuttgart From Atomistics to Material Behaviour
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
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
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
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
1:45–2:30	Keynote: M.L. Cohen University of California at Berkeley Conceptual and Computational Progress in Modeling Materials
2:30–3:00	Coffee Break
3:00–3:30		N. Ghoniem University of California at Los Angeles The Role of Large-Scale Dislocation Dynamics Simulations in Materials Design	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
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
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
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
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
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
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
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
12:00–1:00	Lunch
1:00–1:30		R. Haber University of Illinois Spacetime Discontinuous Galerkin Models For Multiscale Materials Modeling	L. Granasy 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
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
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
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