Hello Gerard,
Your message comes at a good time for me to introduce myself. I'm a graduate student working with Mike Norman at UCSD, and I attended the NVO Summer School this year to learn more about the IVOA, in the hopes of publishing the results of our simulations to the NVO.
While at the Summer School, I implemented a SkyNode based on a use case you wrote up a while ago, the Theory SkyNode. I've been following the work of the Theory Interest Group from the sidelines, and am planning to go with whatever standards arise. Which is why the database tables exposed via the SkyNode are minimal, and only provide summary information on X-ray clusters identified in an existing archive. I am assuming I'll have to change things later, so I'm taking things slow.
With that said, I've put some thought into how to organize our simulation data with the goal of it being published to the NVO. I'd be happy to organize my notes into a draft document, if you think it would be of use.
Further, as a result of the Summer School, I was able to presented my work at AAS in Seattle. You can view a copy of my poster here: http://lca.ucsd.edu/Members/rpwagner/PosterRickWagner.pdf
I spoke with Gus Evrard at AAS, and he expressed an interest to work on a common data model for galaxy clusters to enable code comparison. All three or our groups have built databases containing tabulated properties of simulated objects, and there may be enough common properties to the database schemas to draft a data model for clusters.
Sincerely,
Rick