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Chemistry in the News Quantum Heuristics in Chemistry Nobel Prize 2013 -Michael Fine

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Page 1: Chem in news

Chemistry in the News

Quantum Heuristics in Chemistry Nobel Prize 2013

-Michael Fine

Page 2: Chem in news

Quantum Mechanics is

HARD

Page 3: Chem in news

An Overview

Modeling

Quantum Mechanics

Lab!

Page 4: Chem in news

Quantum Mechanics is

BIG But we’ll focus on a small piece

Page 5: Chem in news

Let’s Start With Something simple

Where is Mr. Hall?

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Sum  over  Histories  

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Again, Quantum Mechanics is

Weird But,

It makes useful predictions about our world

Page 9: Chem in news

Protein  Folding  

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By combining quantum and classical physics,Levitt’s and Warshel’s Model dramatically sped up the

calculations, while still remaining accurate

O(N3) O(N2)

Lysozomine:

12214672127 5303809 VS

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LAB!!!  But first, just a little more background

Page 12: Chem in news

Procedure  

1.  Shine  laser  at  blank  surface,  postulate  what  spliBng  the  beam  will  do  

2.  Glue  a  wire  to  the  laser,  bisecEng  it  in  half  3.  Measure  spacing  of  bands  4.  Determine  the  wavelength  of  the  laser,  using  

the  formula  w=z*lambda/d  

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How this ties in