1st VLab Workshop
July 20-23, 2005
Minnesota Supercomputing Institute, MSI
University of Minnesota, Minneapolis 55455
Scientific Program
July 20, evening
6:00 to 8:00 pm - Reception and registration
July 21, morning
7:45 am - Breakfast and registration (continue)
8:20 am - Welcome and instructions - Renata Wentzcovitch & Bill Hellriegel
The Puzzle Earth (I) (Chair: Lars Stixrude)
8:30 am - Adam Dziewonski: Seismic Imaging of the Earth's Deep Interior
9:00 am - Dan Shim: Phase Transitions and Physical Properties of Silicates at High Pressure and High Temperature
9:20 am - Jay Bass: Elasticity of Deep-Earth Materials at High P and T: Implication for Earth's Lower Mantle
9:40 am - Renata Wentzcovitch: Post-Perovskite at D" Conditions: More Insights on Earth's Lowermost Mantle
10:00 am - Coffee Break
Rocks, Magmas, and Mush (Chair: Frank Spera)
10:30 am - David Kohlstedt: 1 Water in Nominally Anhydrous Mantle Minerals
11:00 am - Marc Hirshman: Hydrous Melting in the Mantle
11:20 am - Lars Stixrude: Silicate liquids in Earth's Deep Interior
11:40 am - Tracy Rushmer: Fe-Liquid Segregation in Deforming Metal-Silicate Systems: Coupling Core Forming Compositions with Transport Phenomena
Noon - Lunch at Faculty Club
July 21, afternoon
Beyond Earth (Chair: Slava Solomatov)
2:00 pm - Richard O'Connell: Extra-solar Planets - Needs for Material Properties at Very High Pressure
2:30 pm - Amir Khan: Selenelogical Tomography - Inferring the Composition of the Moon from the Apollo Lunar Seismic Data, Mass and Moment of Inertia
2:50 pm - Martin Kunz: Structural experiments at high-pressure: present status and outlook
3:10 pm - Koichiro Umemoto: TBA
3:30 pm - Coffee Break
Posters (I)
6:30 pm - Reception and dinner at Faculty Club
July 22, morning
8:00 am - Breakfast
The Puzzle Earth(II) (Chair: Dave Yuen)
8:30 am - Paul Tackley: Geodynamical Modeling of Earth's Thermo-Chemical Evolution: The Importance of Mineral Physics
9:00 am - Carolina Lithgow Berteloni: Material Properties and Their Influence on Mantle and Plate
9:20 am - Slava Solomatov: Grain Size Evolution, Rheology and Mantle Dynamics
9:40 am - John Hernlund: Connecting the Dots: Synthesizing Experiments, Observations, and Processes in the Deep Earth
10:00 am- Coffee Break
Motivations for Large Scale Computations (Chair: Paul Tackley)
10:30 am - Frank Spera: Relevance of Structure, Thermodynamic And Transport Properties of Amorphous Geomaterials (Glasses, Metastable And Equilibrium Liquids) to the Evolution of the Terrestrial Planets
11:00 am - Bijaya Karki: A Visualization Approach to Understanding Minerals Properties
11:20 am - Dave Yuen: The Role of Transport Properties in Lower Mantle Convection
11:30 am - Gordon Erlebacher: A Framework for VLab
Noon - Lunch at Faculty Club
July 22, afternoon
Facilitating Large Computations (Chair: Gordon Erlebacher)
2:00 pm - Shrideep Pellickara: Overview of the NaradaBrokering Substrate
2:30 pm - Marlon Pierce: Grid Portals for VLAB
2:50 pm - Adil Hasan: Data Management within the UK E-science
3:10 pm - Stefano Cozzini: European Grid Middleware for VLAB
3:30 pm- Coffee Break
Posters (II)
Evening - Free
July 23, morning
8:00 am - Breakfast
Some Trends in Planetary Materials Computations (Chair: Stefano Baroni)
8:30 am - Ilja Siepmann: Simulating Fluid Phase Equilibria of Water from First Principles
9:00 am - Erin Dahlke: Improved Density Functionals for Water
9:20 am - Stefano de Gironcoli: Going beyond local density and gradient corrected XC functionals in Quantum-ESPRESSO
9:40 am - Philip Allen: Stony Brook VLab Research -- Progress and Plans
10:00 am - Coffee Break
More Trends in Planetary Materials Computations (Chair: Renata Wentzcovitch)
10:30 am - Sandro Scandolo: Thermal Conductivity from Atomistic Simulations: Some Preliminary Findings, Many Challenges Ahead
11:00 am - Taku Tsuchiya: High-to-Low spin Transition in Minerals and its Effect on Elasticity
11:20 am - Caetano Miranda: Minerals Deformation at Deep Earth Conditions from Atomistic Simulations
11:35 am - Razvan Caracas: First Principles Study of the MgSiO3-FeSiO3-Al2O3 System at High-Pressure
11:50 am - Concluding Remarks
12:30 am - Box Lunch at MSI
