Aims of Project (formerly Scientific Study)


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Lee Carre
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Message 14 - Posted 13 Feb 2006 0:35:23 UTC

what is this project studying exactly?
what are you comparing/analysing?
what is the app doing?

just so we know what our computers are actually doing :)

thanks

Pavarros
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Message 18 - Posted 13 Feb 2006 16:12:28 UTC

I\'d also like to know what those tiny-tiny white particles in red cube have to do with science :P
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Lee Carre
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Message 19 - Posted 13 Feb 2006 16:29:12 UTC - in response to Message ID 18.
Last modified: 13 Feb 2006 16:30:41 UTC

I\'d also like to know what those tiny-tiny white particles in red cube have to do with science :P

I\'m guessing they\'re water molecules, red is oxygen, and white is hydrogen (remember the little balls you used to play with in chemistry, and you attached them together with \"sticks\" lol, well the colours are standardised)
i\'m also guessing the box represents the environment space, and the app is testing the realisticness of the simulated behaviour

but that\'s a very low level explanation, the kind of stuff i\'d like to know is what is the app going to be used for, essentially, what\'s the purpose/aim(s) of this project

also how are the results going to be used, are they going to be freely available etc. and all this is non-profit

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Message 29 - Posted 14 Feb 2006 11:22:23 UTC

Well, probably as every single project in alpha state, currently it\'s doing nothing essential, just testing software and hardware...

However, somebody form the management could\'ve finally read those message boards!!!
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Message 30 - Posted 14 Feb 2006 11:40:37 UTC

I will be testing a \'flexible-water\' model, but you might be doing something different with the same grid / code... *You* can do the science now at home!

http://boinc.gorlaeus.net/download/Classical.txt might be interesting too...

From my personal profile:

The water model is based on a forcefield of Ferguson and the SPC/E model. It allows for the water molecule to be a non-rigid rotor. This means that it allows for the H-O bond to vibrate and for the H-O-H bonding angle to change. At the moment the simulations run a water-vapor at 273K. When you join in and look at the graphics of the simulation, or look at the screensaver if you are running windoze, you can actually see the molecules move real-time and rotate your view if you want to. The simulation will run the water-vapor for about 100 pico seconds and will take roughly 40 minutes on your computer. In the forecomming future I\'ll be adjusting the model parameters and the molecular dynamics code to get some more statistics and a better model for flexible water...

Keep in mind this project is still a one-man-show and I also have to test stuff, so not much time always... Have to manage some clusters as well here ;-)

Maybe that explains a bit...

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Lee Carre
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Message 50 - Posted 14 Feb 2006 14:08:07 UTC - in response to Message ID 29.

Well, probably as every single project in alpha state, currently it\'s doing nothing essential, just testing software and hardware...

However, somebody form the management could\'ve finally read those message boards!!!

well, i guessed that too

what i was after was to know if it\'s just to test the app, or if it\'ll be moving to \"production\" status, what will it be doing when it reaches that state

Lee Carre
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Message 51 - Posted 14 Feb 2006 14:12:48 UTC - in response to Message ID 30.

I will be testing a \'flexible-water\' model, but you might be doing something different with the same grid / code... *You* can do the science now at home!

http://boinc.gorlaeus.net/download/Classical.txt might be interesting too...

From my personal profile:

The water model is based on a forcefield of Ferguson and the SPC/E model. It allows for the water molecule to be a non-rigid rotor. This means that it allows for the H-O bond to vibrate and for the H-O-H bonding angle to change. At the moment the simulations run a water-vapor at 273K. When you join in and look at the graphics of the simulation, or look at the screensaver if you are running windoze, you can actually see the molecules move real-time and rotate your view if you want to. The simulation will run the water-vapor for about 100 pico seconds and will take roughly 40 minutes on your computer. In the forecomming future I\'ll be adjusting the model parameters and the molecular dynamics code to get some more statistics and a better model for flexible water...

Keep in mind this project is still a one-man-show and I also have to test stuff, so not much time always... Have to manage some clusters as well here ;-)

Maybe that explains a bit...

thanks for the info :)
the \"run your own experiment\" idea sounds great, you might want to talk to Janus over at BURP for info on the submission system he uses, I think he\'s going with the idea of a seperate credit system (which is seperate from your tradtitional credit) and submitting a job costs x, but submitting a job that you want done quickly might cost 1.5x

you gain credits by processing work, the gain (as far as i know) is at the same rate as traditional credit, but the seperate (job \"currency\" credit) is reduced when you submit jobs
the idea behind this is so that people can\'t just submit jobs without helping to process other jobs in general, a \"no free rides\" scheme

Lee Carre
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Message 57 - Posted 14 Feb 2006 16:41:59 UTC
Last modified: 14 Feb 2006 16:42:09 UTC

to rename title

Lee Carre
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Message 59 - Posted 14 Feb 2006 17:57:15 UTC
Last modified: 14 Feb 2006 17:57:58 UTC

renamed title again
sorry for the emails if you\'re subscribed :p

[AF>Slappyto] popolito User profile image
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Message 1579 - Posted 12 Apr 2007 14:08:50 UTC

Sorry, I have just another question :
Which are the fields that this project can help (because, I think it is basic research, but what are the openings) ?
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Message 1582 - Posted 15 Apr 2007 8:09:00 UTC

??
I wanted to say if there are applications in industry or another :)
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Message 1589 - Posted 18 Apr 2007 8:25:14 UTC

No ?
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Message 1592 - Posted 18 Apr 2007 9:49:22 UTC

The project does basic research based on Classical dynamics.

Surface science is one area of science that makes use of these Classical Dynamics methods. For Surface Science, the reactions of H2 (hydrogen) on various metal surfaces (Copper, Paladium and Platinum) are studied. These studies give us a better fundamental understanding of how elementary reactions occur on solids. This eventually will lead to a better understanding of the field of catalysis. This is where industry might evenetually benefit from. In big chemical plants, lot's of reactions take place and they can be more efficient, less poluting or more selective by using the right catalyst. But before you know what the best catalyst is, you need to understand how reactions take place on solids etc. etc. etc.

So you see, this project has not a direct application in the industry, but when considering the surface science, it will help in the basics of chemistry of industry. This project can also help other areas of science. Currently we also use this project to teach our students the fundamentals of classical dynamics and thus also the fundamentals of Molecular dynamics and Surface Science. This project has a lot to offer because of the generality of Classical Dynamics. It even allows you to start and do Classical Dynamics calculations yourself for whatever you like. This is why you have a personal queue and why you are allowed to submit to the grid. This is why the program is well documented and why a special Java3D graphical interface has been developed... So you see, this project has a lot to offer to any scientist / student ;-).

Does that answer you question?


m.


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Message 1594 - Posted 18 Apr 2007 11:45:49 UTC

Yes, that answers to my question.
Thanks a lot m.
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