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Re: Research Log: Updates from the Harvard Team

We passed the mark of 12 billion points today - nice job everybody!
https://secure.worldcommunitygrid.org/stat/viewProject.do?projectShortName=cep2
[Jun 11, 2012 3:32:41 PM]   Link   Report threatening or abusive post: please login first  Go to top 
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Re: Research Log: Updates from the Harvard Team

Our calibration scheme revamp for the raw DFT data makes some really nice progress. We'll keep you posted on how this is going.
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Re: Research Log: Updates from the Harvard Team

Thanks for the thumbs-up from our friend Richard!
http://sciencesprings.wordpress.com/2012/06/1...nergy-123-billion-points/
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Richard Mitnick
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Re: Research Log: Updates from the Harvard Team

I took back the extra 111 billion credits. Sorry, guys. Still cannot type. Look at me, almost 22 million credits in BOINC. It is truly amazing what some GPU work will do. But still, in CPU crunching, WCG is my Big Boy.
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[Edit 1 times, last edit by mitrichr at Jun 12, 2012 8:53:51 PM]
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Re: Research Log: Updates from the Harvard Team

We had our monthly phone conference with the IBM WCG team this morning and everything seems to be in best order – crunching on!
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Re: Research Log: Updates from the Harvard Team

We got the question yesterday what the “best” molecules in our database will look like.

Haha, if we knew that beforehand we wouldn't spend all this effort on this project biggrin. But in all seriousness, there are but few fixed rules of what constitutes a promising material candidate. It really depends on what you are looking for, and different people look for different things. E.g., for simple OPVs, there is the Scharber model which predicts the performance of a material based on the data we have, so we can rank the database accordingly. But if you want to have a different cell design or build a tandem cell, then this formula and hence the ranking changes dramatically. And if you are interested in OLEDs, OFETs, OSCs, OCs, etc then the criterial will be completely different... So, there is really no general answer to this question, which is also the reason why CEPDB will be such a valuable resource for the community.
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Richard Mitnick
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Re: Research Log: Updates from the Harvard Team

Are you guys interested in this work at Brookhaven on "...new efforts to pair inorganic nanoparticles with conductive polymers to convert sunlight into electricity or build better biosensors..."

http://www.bnl.gov/today/story.asp?ITEM_NO=3148
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Re: Research Log: Updates from the Harvard Team

Are you guys interested in this work at Brookhaven on "...new efforts to pair inorganic nanoparticles with conductive polymers to convert sunlight into electricity or build better biosensors..."

http://www.bnl.gov/today/story.asp?ITEM_NO=3148
Hmmm...organic and inorganic particles self-assembling a conjugal relationship because of an induced mutual attraction with the intent of controlling hole transfer rate...

"Love Potion #9" for photovoltaics...who said physics isn't sexy?

(My apologies for butchering what started out as "Shell Thickness Dependent Photoinduced Hole Transfer in Hybrid Conjugated Polymer/Quantum Dot Nanocomposites: From Ensemble to Single Hybrid Level" into that.)
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Re: Research Log: Updates from the Harvard Team

Yes, the organic components for hybrid or other multijunction solar cells are definitely also on our radar. In fact, they are one of the examples where the rules for what constitutes "ideal" materials changes dramatically, i.e., a case where CEPDB will be particularly valuable.
Best wishes
Your Harvard CEP team
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Re: Research Log: Updates from the Harvard Team

We want to use this forum to thank the WCG Community Advisors for all their input and support. You guys are great and make running a WCG project like CEP so much easier and more fun. Your contributions are greatly appreciated. Thanks so much and keep up the good work!
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