What the calculations are used for!

[and_ped10]

Hi Everybody,

I have been introduced to EON as a part of my PhD (quantum chemistry at University of Iceland). Graeme and I (Andreas) have started collaboration where Graeme provide the EON code and I an interface to a program that is able to describe how atoms interacts.

The current simulations will be describing how magnesium atoms behave when they are deposited on a magnesium surface. My interest in this system is due to the fact that magnesium is a potential hydrogen carrier; one of the goals for my PhD project is to gain an increased understanding about hydrogen storage. Beside that I see it as very important task for the science society to come up with suggestions about how the use of fossil fuels could be changed into use of renewable energy!

Kindly Andreas

Check out my homepage for more info:

www.theochem.org/~andreas/ (http://www.theochem.org/~andreas/)

[black_civic55]

thats pretty interesting, i like it when someone can actually tell us what this all applies to in everyday life.

[AMDave]

Absolutely. you said it black_civic55
Greater purpose than some other projects.

Excellent to see the new client charging along and (knocks on wood) the server remaining stable. It all seems to be running very well on our end.
Well done graeme, omer and team.
(ps - nice touches on the windows client btw)

So how are the initial results looking for you back in the lab ?

[-Xp-]

It's been almost 2 months after this topic was started, would Andreas or Graeme give us any info about the research?

The client seems to be working fine, and I'm thinking of running eOn as my main project for the next month. Any news update regarding the project would give me an extra motivation :) .

[and_ped10]

Hi Everybody,

As mentioned in the post by Xp, the thread was started almost two months ago. At this time (July 18) the total time described by the simulation is about 20ms (0.002s). This might not sound like much but it should be seen in the light of normal simulations that maximally describes 1ns or so (0.000000001s). So right now we are simulating stuff nobody ever have seen before!

I expect to let the simulation run for like 3 more weeks and then start to do some serious data processing. Until now all the analasis have been visual, get a plot where the atoms looks like a pile of oranges, but those results looks pretty interesting and I am really looking forward to be able to devote my time to process the work all you guys have performed for us.

I will try to remember to post a note when some interesting results show, but please leave a note if you do not think I have not been informative enough.

And as a peptalk I would like to state that we really appriciate your cooperation and together we will hopefully get a better understanding of how Magnesium behaves and have we can take advantage of it. Our ultimative goal is to the world cleaner place to live without lack of energy by using Hydrogen as energy carrier!

Kindly Andreas

[-Xp-]

Thank you for the update, Andreas. Glad to hear that the work is progressing nicely.:thumbs:

Posting a short announcement regarding this progress on the main eOn page would be a good thing to do, too!

[black_civic55]

thanks for the info Andreas!! we need more people like you on other projects *cough* D2OL *cough*

[-Xp-]

Andreas, are there any updates regarding the projects?

It's been 1.5 months:D .