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[phys.org]Computers create recipe for two new magnetic materials

post #1 of 27
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Quote:
Material scientists have predicted and built two new magnetic materials, atom-by-atom, using high-throughput computational models. The success marks a new era for the large-scale design of new magnetic materials at unprecedented speed.
Quote:
For the synthesis, Curtarolo and Oses turned to Stefano Sanvito, professor of physics at Trinity College in Dublin, Ireland. After years of attempting to create four of the materials, Sanvito succeeded with two.

Both were, as predicted, magnetic.

SOURCE

I like magnets I still nerd out on magnets.
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post #2 of 27
Well the title is misleading.

They had a hypothesis for 4 new materials, and used their own calculations and strong computers to went through hundreds of thousands of options "brute force"ing to see the different options until they got what they wanted.

The title makes it sound like the computer found the recipe on its own. It didn't. It didn't make up the calculations or the idea.

"Created recipe" is like figuring out the best recipe for a cheesecake that will make everyone say "wow" on its own based on understanding what makes a good cheesecake a great cheesecake, and understanding the interactions of different materials and their amounts.
What they actually did was just make hundreds of thousands of cheesecakes, testing them all, and figuring out which one hits the most "likes".
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post #3 of 27
Quote:
Originally Posted by Defoler View Post

What they actually did was just make hundreds of thousands of cheesecakes, testing them all, and figuring out which one hits the most "likes".

And then actually made two of the cakes.
post #4 of 27
Quote:
Originally Posted by Defoler View Post

Well the title is misleading.

They had a hypothesis for 4 new materials, and used their own calculations and strong computers to went through hundreds of thousands of options "brute force"ing to see the different options until they got what they wanted.

The title makes it sound like the computer found the recipe on its own. It didn't. It didn't make up the calculations or the idea.

"Created recipe" is like figuring out the best recipe for a cheesecake that will make everyone say "wow" on its own based on understanding what makes a good cheesecake a great cheesecake, and understanding the interactions of different materials and their amounts.
What they actually did was just make hundreds of thousands of cheesecakes, testing them all, and figuring out which one hits the most "likes".

All the cheesecakes have infinite likes. Because cheesecake is divine.thumb.gif
     
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post #5 of 27
Quote:
Originally Posted by Defoler View Post

Well the title is misleading.

They had a hypothesis for 4 new materials, and used their own calculations and strong computers to went through hundreds of thousands of options "brute force"ing to see the different options until they got what they wanted.

The title makes it sound like the computer found the recipe on its own. It didn't. It didn't make up the calculations or the idea.

"Created recipe" is like figuring out the best recipe for a cheesecake that will make everyone say "wow" on its own based on understanding what makes a good cheesecake a great cheesecake, and understanding the interactions of different materials and their amounts.
What they actually did was just make hundreds of thousands of cheesecakes, testing them all, and figuring out which one hits the most "likes".
happy 4/20 man
post #6 of 27
Thread Starter 
Quote:
Originally Posted by Defoler View Post

Well the title is misleading.

I get the feeling that maybe you are just not easy to lead.
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post #7 of 27
http://advances.sciencemag.org/content/3/4/e1602241.full

Neat, full text of the published article. They used DFT however so I don't like them.

Quote:
Originally Posted by Defoler View Post

The title makes it sound like the computer found the recipe on its own. It didn't. It didn't make up the calculations or the idea.

...

What they actually did was just make hundreds of thousands of cheesecakes, testing them all, and figuring out which one hits the most "likes".

Ab initio ("from first principles") methods, so yes, sort of. They predicted a quarter-million compounds from their set of elements using all the possible combinations of elements. However, all the math was done by the computer, and sifting through the results was almost certainly assisted by computers.
Edited by CynicalUnicorn - 4/20/17 at 12:16pm
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post #8 of 27
Quote:
Originally Posted by CynicalUnicorn View Post

http://advances.sciencemag.org/content/3/4/e1602241.full

Neat, full text of the published article. They used DFT however so I don't like them.

Oh god another quantum mechanics thread (and of course the method used is the one with the most alterations). I now know what OCN's equivalent to waterboarding is.

...and yet here I am reading it anyway
post #9 of 27
Quote:
Originally Posted by lombardsoup View Post

(and of course the method used is the one with the most alterations).

Wut?
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post #10 of 27
Quote:
Originally Posted by CynicalUnicorn View Post

Wut?

DFT has been constantly revised in order to improve the problems inherent to the process.

It also doesn't help that I'm a dunce when it comes to this field. In fact, walk me through this. Very slowly.
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