New workflows and resources in the VLab cyberinfrastruture
Abstract
We describe the development and show examples of new resources and workflows in the VLab cyberinfrastructure. Among resources we have high temperature elasticity of several phases we have computed so far. Available results may be reproduced online similarly to thermodynamics properties, which have been available since 2008. New workflows include high temperature elasticity and the determination of the self consistent Hubbard U by linear response theory.
- Publication:
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AGU Fall Meeting Abstracts
- Pub Date:
- December 2011
- Bibcode:
- 2011AGUFMMR23A2119D
- Keywords:
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- 3909 MINERAL PHYSICS / Elasticity and anelasticity;
- 3924 MINERAL PHYSICS / High-pressure behavior;
- 3999 MINERAL PHYSICS / General or miscellaneous