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World Community Grid Forums
Category: Completed Research
Forum: The Clean Energy Project - Phase 2 Forum
Thread: Research Log: Updates from the Harvard Team |
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Thread Status: Active Thread Type: Sticky Thread Total posts in this thread: 1840
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
We are just finishing the galley proofs for our latest paper titled "Lead candidates for high-performance organic photovoltaics from high-throughput quantum chemistry – the Harvard Clean Energy Project". It recently got accepted in "Energy & Environmental Science", a high-profile journal (impact factor of 11.7) and should appear in a few days. We'll give you a heads up once that happens and show you how to access it.
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
BTW: to give you an idea how loooong the scientific publication process takes: Our manuscript was first submitted in early July, then we spent some time finding a suitable journal, then we had to adapt the manuscript accordingly, go through the peer review process and then work on the revision.
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
Laszlo, Kai, and Carolina currently work on finally adding the automated grid status and statistics update into our project website.
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
The new molecular library from our collaboration with Columbia University should hit the grid soon. Hope that this one makes less problems compared to the previous one. But to stress this point once more: if a workunit fails due to convergence issues, that is not a particularly unusual situation in quantum chemistry - it just indicated that we are dealing with challenging compounds. And that information in conjunction with a more detailed analysis of the failure is actually quite valuable in itself. We are learning a great deal from problems as well!
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
It's time to think about Jabba7 and 8 :). So much data...
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
Martin is back from a trip to Austria where we had a very productive work visit with our collaborators and friends at the University of Linz.
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
Congratulations to Prof. Martin Karplus, a fellow theoretical chemist here in the Department of Chemistry and Chemical Biology at Harvard on the 2013 Nobel Prize. Actually, we have used some of the codes he has developed and which are the foundation for his award in the Clean Energy Project.
http://www.nobelprize.org/nobel_prizes/chemis...s/2013/karplus-facts.html |
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
Here is some interesting reading which puts the 2013 NP into perspective and also gives you an idea of how it relates to our own research.
http://blogs.nature.com/news/2013/10/nobels-2...to-computer-modelers.html |
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
We had a good routine call with our friends at IBM WCG this morning. Machine's still humming.
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