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Computational Materials Science

The Computational Materials Science group conducts research ranging from nano-science to full-size engineering applications.

Research Areas

  • Engineering and transportation technology
  • Engineering sciences
  • Nano science
  • Applied mathematics
  • Soft materials (polymers)
  • Surface science (catalysis)
  • Magnetism and magnetotransport in nanostructures
  • Light-weight materials
  • Carbon based nanostructures (Carbon nano-tubes and molecular electronics)
Group leader: Thomas Schulthess
Email: schulthesstc@ornl.gov
Phone: 865-574-4344
Fax: 865-574-7659
 Secretary: Carole Holbrook
 Email: holbrooklc@ornl.gov
 Phone: 865-241-0212
 Fax: 865-241-0381

Staff
PRESENTATIONS
Leadership Science
-Materials Science & Nanoscience
  Igor B. Jouline ORNL–University Partnerships in Computational Biology
Thomas C.Schulthess Statistical Physics of Fracture: Recent Advances through High-Performance Computing
Thomas C. Schulthess Fermion Glue in the Hubbard Model: New Insights into the Cuprate Pairing Mechanism with Advanced Computing

 

 
   CSM Projects   
   Colossal Magneto Resistance   
   Compound Wavelet Matrix   
   Scalable First Principles Methods for Electronic Transport   
   Electronic Notebook   
   Earth System Grid   
   Functionally Graded Materials   
   New Fourier Transforms Methods   
   Statistical Physics of Fracture   
   Adaptive Mesh Refinement for Multiphysics Applications   
   High-Performance Circuit-Switched Networks   
   Packet-Switched and Circuit-Switched Networks   
   Infiniband Connections across the United States   
   Siemens Competition National Finals   
   Protein Dynamics   
     
  INCITE Funded Projects  
   An Integrated Approach to the Rational Design of Chemical Catalysts   
   Multidimensional Simulations of Core Collapse Supernovae   
   Predictive and accurate Monte Carlo based simulations for Mott insulators, cuprate superconductors, and nanoscale systems   
   Cellulosic Ethanol: Physical Basis of Recalcitrance to Hydrolysis of Lignocellulosic Biomass   
   Clean and Efficient Coal Gasifier Designs using Large-Scale Simulations   
   Climate-Science Computational End Station Development and Grand Challenge Team   
   Modeling Reactive Flows in Porous Media   
   Assessing Global Climate Response of the NCAR-CCSM3: CO2 Sensitivity and Abrupt Climate Change   
   Performance Evaluation and Analysis Consortium End Station   
   
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URL: http://www.csm.ornl.gov/comp_materials/index.html
Updated: Tuesday, 04-Dec-2007 11:24:34 EST

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