09:30 - 09:50 | R. A. Forrest, B. J. Braams: Welcome and Introductions |
09:50 - 10:40 | R. Schneider: Plasma-Wall Interaction in Fusion: Overview and Challenges for Predictive Modeling |
10:40 - 11:00 | Break |
11:00 - 11:50 | R. J. Harrison: Computational Chemistry Trends Relevant for Plasma-Material Interaction |
11:50 - 12:40 | G.-H. Lu: Ab Initio-Based Modeling of Hydrogen and Helium Behaviours in Plasma Facing Materials and its Connections to Edge Plasma Simulation |
12:40 - 14:00 | Lunch |
14:00 - 14:50 | S. Irle: Density Functional Tight-Binding Molecular Dynamics for Chemical Sputtering Simulations |
14:50 - 15:30 | K. Nordlund: Comparisons of DFT-MD, TB-MD and Classical MD Calculations of Radiation Damage and Plasma-Wall Interactions |
15:30 - 16:00 | Break |
16:00 - 16:40 | P. Krstic: Validation, Verification and Uncertainty Quantification of the PMI Calculations: D on C-Li-O |
16:40 - 17:10 | J. W. Davis: Highlights from the Preceeding Meeting on Improving the Database for Physical and Chemical Sputtering |
17:10 - 17:30 | All: Discussion |
19:30 - | Social dinner (outside VIC) |
09:00 - 09:30 | K. Ohya: Molecular Dynamics Study of Hydrogen and Hydrocarbon Interactions with Carbon and Beryllium Deposits |
09:30 - 10:00 | A. Ito: Modeling of Potential with Downfolding Method |
10:00 - 10:30 | R. Schneider: Multi-Scale Modeling of Hydrogen Transport in Porous Graphite |
10:30 - 11:00 | Break |
11:00 - 12:30 | All: Discussion |
12:30 - 14:00 | Lunch |
14:00 - 14:20 | B. J. Braams: Start of Discussion: PMI Issues for the A+M Data Unit |
14:20 - 17:30 | All: Science needs and meeting recommendations |
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Participants: Front row: K. Ohya, P. Krstic, R. Schneider, S. Irle, B. J. Braams, G.-H. Lu, J. Burgdoerfer, H.-K. Chung Back row: A. Ito, J. W. Davis, I. Cernusak, K. Nordlund, R. J. Harrison. |