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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 |
Hi everybody,
A quick update on our server-discspace-snafu: We've been fully operational again since yesterday around early afternoon. There is a possibility that results got partially uploaded and are thus "stuck". If that is the case for you, please let us know. We can manually delete the part that already arrived here and then the upload should proceed normally for you. Best wishes Your Harvard CEP team |
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
We are now running a warning script that starts shouting once the Ms Piggy fast storage array fills up to over 90%. This should hopefully prevent issues such as the one we encountered on Wednesday morning in the future. Sorry for not having implemented this earlier!
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
Would that not than be squealing rather than shouting for effective voice recognition ;P
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
We are now running a warning script that starts shouting once the Ms Piggy fast storage array fills up to over 90%. This should hopefully prevent issues such as the one we encountered on Wednesday morning in the future. Sorry for not having implemented this earlier! :-) It was fixed soon after it happened. Unexpected things happen. Good job ! You must need a huge amount of space for all of that data. |
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
Laszlo is currently working on a module for the on-the-fly generation of project statistic plots, milestones, and a timeline. It automatically downloads the daily stats, analyzes them, and produces a compilation of interesting information. This will very soon replace the static version we still have on our project webpage.
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
Martin gave group meeting yesterday on a CEP side project he’s been working on. The title of his presentation was “Stability of endohedral metallofullerenes: revisiting structural motifs to predict stability rank of charged cages”. Here is his abstract: “Introducing metal atoms or metal clusters into the cage of a fullerene drastically alters the optical properties and reactivity. Doping by means of selecting the appropriate metal cluster makes endohedral metallofullerenes (EMFs) attractive materials for photovoltaics. Although a wide variety of EMFs have been synthesized, presently there is a lack of systematic understanding about which metal clusters could form stable compounds. For instance, no one has yet produced an EMF with an earth abundant metal or phosphorous based cluster.
I have been focusing on developing methods for narrowing down the list of host cages in preparation for combinatorial searching. As a starting place I have been revisiting work of Fowler and Manolopoulos from the 1990s on correlating local structural motifs with relative stabilities of fullerene isomers to study how charge transferred to the cage changes which molecular descriptors correlate well with stability. I'll conclude my talk with some thoughts on interesting applications of David Avnir's continuous symmetry measure to analyzing endohedral fullerenes. This project is the beginning of a collaboration with the group of Prof. Luis Echegoyen at University of Texas, El Paso.” |
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Sgt.Joe
Ace Cruncher USA Joined: Jul 4, 2006 Post Count: 7846 Status: Offline Project Badges: 
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I have been focusing on developing methods for narrowing down the list of host cages in preparation for combinatorial searching. Do I detect the seed of a possible new project for WCG ? Cheers
Sgt. Joe
*Minnesota Crunchers* |
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
Saturday, sunshine, and humming CEP servers - what else could one ask for? Here is something light for the weekend again – enjoy!
http://xkcd.com/870/ |
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
Hi SekeRob,
haha, well, to be honest, it only writes an eMail :). Hi Whl., yes, indeed - we have so far collected 400TB of data, but we have just expanded our capacity to 750TB. Hi Sgt.Joe, well, it sort of is already a side project - same general idea of what we've been doing so far, just with a somewhat different class of molecules. Best wishes and a great weekend, everybody Your Harvard CEP team |
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
Last Wednesday we had a really nice seminar as part of the Greater Boston Theory Seminar series by Prof. Jeff Grossman of MIT entitled "Computational Design of New Solar Thermal Fuels." It’s always nice to hear about the alternative approaches available to harvest solar energy.
http://zeppola.mit.edu/ |
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