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Thread Status: Active Total posts in this thread: 3
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
I'm very interested in knowing what the outcome of the data is showing so far and who gets to benefit from the results? Where can we read more about what our data units are providing and to whom.
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
Hi ijhudson,
It is still early days at CEP. To characterize a material, we have to run it through the CHARMM and Q-Chem programs, as explained at http://www.worldcommunitygrid.org/projects_showcase/cep1/viewCep1Main.do Right now, we are still learning how to run different types of materials through CHARMM. Currently we are running Type C Beta work units. We have learned how to handle Type A and Type B materials. Eventually we will start running CEP work units through Q-Chem, and then the project scientists will have the data that they need. Hopefully, they will then start updating the progress reports on their website at http://cleanenergy.harvard.edu/index.php?ira=...=sidebar&sidebar=news Right now, all they could say is 'We have learned how to run Type A and Type B materials on CHARMM and we are working on learning how to run Type C materials. Lawrence |
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
Thanks for this update, Lawrence!
As basic as it is, still very nice to see parts of the work getting knocked off. |
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