Wednesday, November 2, 2011: MedeA® workshop Thursday, November 3, 2011: Scientific presentations Friday, November 4, 2011: Recent Developments

Agenda

Wednesday, November 2, 2011: MedeA® workshop

8:00 - 11:45 MedeA® hands-on training (in two groups)

11:45 lunch

12:45 - 17:00 MedeA® hands-on training (in two groups)

Thursday, November 3, 2011

8:00 Erich Wimmer, Materials Design Opening Remarks

8:15 Dr. Steve Plimpton, Sandia National Laboratories, Molecular Dynamics Modeling via LAMMPS: Capabilities and Future Plans

9:00 Clive Freeman, Materials Design, Embedded Atom Method Simulations using MedeA® and LAMMPS

9:30 Prof. Srini Srivilliputhur, University of North Texas, Simulation of Dislocations Using Embedded Atom Potentials.

10:00 break

10:30 Dr. James Vollmer, TerraPower, Using MedeA/VASP to Better Understand Fuel-Clad Chemical Interaction.

11:00 Dr. Amra Peles, United Technologies Research Center, Tuning the Oxygen Reduction Activity with Size and Shape Controlled Nano Particles

11:30 Dr. Julie Tucker, Knolls Atomic Power Laboratory, Role of alloying elements in Fe-Cr Phase Separation.

12:00 lunch

13:30 Dr. D. Brooke Hatfield, Raytheon Missile Systems, New perspectives on tin whiskers based on atomistic modeling.

14:00 Dr. Jimmy Eason, Baker Hughes, Isotropic Limits of Cemented Carbide: Isotropy from Anisotropy

14:30 Dr. Yaron Amouyal, Technion - Israel Institute of Technology, Density Functional Theory with Atom-Probe Tomography for Studying Atomistic-Level Phenomena in Solids.

15:00 break

15:30 Prof. Georg Kresse of University of Vienna
will give us his insight into the latest developments of VASP.

16:40 Erich Wimmer,Materials Design, Wrap-up of the First Day

18:00 Reception and Banquet at Boston Science Museum.

Private planetarium show & Banquet

Friday, November 4, 2011,

Chaired by Paul Saxe

8:00 Clive Freeman, Materials Design®, MedeA® Development Overview

8:45 Erich Wimmer, Materials Design®, Development in Solids Simulation

9:30 Philippe Ungerer, Materials Design®, Developments in Fluids Simulation

10:15 break

10:45 David Rigby, Clive Freeman, Materials Design®, Developments in Polymer Simulation

11:15 General Discussion of MedeA® Enhancements.

Contact (for all open questions):

Ellen Goins, egoins@materialsdesign.com +1-760-495-4924