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Topic: equipment for quantum chemistry  (Read 8081 times)

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atmbk

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equipment for quantum chemistry
« on: August 17, 2005, 10:13:37 PM »
Hei,
I have intension to build a lab of quantum chemistry. Which equipment I should have?
Thanks in advance,
email me: atmbk@yahoo.fr

Offline lemonoman

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Re:equipment for quantum chemistry
« Reply #1 on: August 18, 2005, 02:43:43 AM »
Having the intention to just up and build a quantum lab certainly isn't something you hear everyday.  And I'd like to point out one thing in particular...

Because of the nature of quantum chemistry, you can't just throw a bunch of lab equipment together and call it a lab.  If you have pipettes, beakers, flasks, burettes, all the regular stuff for your ordinary run-of-the-mill lab, then you could be doing organic chemistry, you could be doing analytical, you could be just collecting science stuff  :P

But quantum is WAY different...and I venture to say that if you don't know what kind of equipment is used in a quantum lab, then building a quantum lab shouldn't be at the top of your to-do list...

But to answer your question, in THEORY all you need is a really really powerful computer or set of computers networked together...enough to solve the complicated equations used in Quantum Chemistry. (You know, the old operator-eigenvalue ones :P).  If you want a hardcore quantum lab, you could have things like particle accelerators, radiation sources, photon emitters and receivers, and a bunch of other stuff you can use to control atoms, electrons, and any other particle you think you can control.

You gave an email address, but hopefully you come back and see what other people's responses are...Hopefully it will give you a very good idea as to what is going on.  Cheers!

Offline Mitch

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Re:equipment for quantum chemistry
« Reply #2 on: August 18, 2005, 02:46:07 AM »
As lemon alluded to all you need for a quantum chemistry lab is a computer. Since you need a computer to type here, you are already setup to do quantum chemistry. Congratulations.
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atmbk

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Re:equipment for quantum chemistry
« Reply #3 on: August 18, 2005, 05:02:12 AM »
Dear Lemonoman ant Mitch,
Thanks for all advices and sorry for a not clear question. Beside a power full computer machine I need other equipment. Now I can imagine what I should look for.
Thanks again,
atm

Offline Donaldson Tan

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Re:equipment for quantum chemistry
« Reply #4 on: August 18, 2005, 05:04:42 AM »
don't you think "quantum chemistry" is still too broad a term to narrow down the list of equipments you should have?
"Say you're in a [chemical] plant and there's a snake on the floor. What are you going to do? Call a consultant? Get a meeting together to talk about which color is the snake? Employees should do one thing: walk over there and you step on the friggin� snake." - Jean-Pierre Garnier, CEO of Glaxosmithkline, June 2006

Blueshawk

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Re:equipment for quantum chemistry
« Reply #5 on: August 19, 2005, 12:01:09 PM »
For the computer.....you'll need a fast one, since mathematical equations, especially Schrodinger Eq's,   take alot of computing power.  I suggest grid neworking lower end PC's...to make an overall "little-supercomputer".  Getting the software for the grid network maybe a little hard, or cost a little.  I have plans to make one...but am not sure of the software yet.  Then you need a program to run through the equations..so that requires good algorithms.  all in all....talk with a PC programmer for software to run equations.  Unless someone here already knows of one.

Sun Microsystems .  Deals with grid networking software

egsgaard

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Re:equipment for quantum chemistry
« Reply #6 on: August 19, 2005, 06:52:29 PM »
#5, check this out: http://bofh.be/clusterknoppix/

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