Quantum Mechanics for Graphs and CW-Complexes Michael Toriyama, Zhe - - PowerPoint PPT Presentation

quantum mechanics for graphs and cw complexes
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Quantum Mechanics for Graphs and CW-Complexes Michael Toriyama, Zhe - - PowerPoint PPT Presentation

Quantum Mechanics for Graphs and CW-Complexes Michael Toriyama, Zhe Hu, Boyan Xu, Chengzheng Yu Sarah Loeb Ivan Contreras University of Illinois at Urbana-Champaign Illinois Geometry Lab Midterm Presentation October 25, 2016 Quantum


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Quantum Mechanics for Graphs and CW-Complexes

Michael Toriyama, Zhe Hu, Boyan Xu, Chengzheng Yu Sarah Loeb Ivan Contreras

University of Illinois at Urbana-Champaign Illinois Geometry Lab Midterm Presentation October 25, 2016

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Quantum Mechanics for Graphs and CW complexes

This project develops a version of the Schr¨

  • dinger model of

quantum mechanics for graphs and CW complexes to solve combinatorial problems compute topological invariants model phenomena in information theory and materials sciences.

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Schr¨

  • dinger equation for graphs

We use a discretization of the Schr¨

  • dinger equation from

“usual” quantum mechanics which takes the form i ∂ ∂t Ψt = −∆Ψt and is solved by the exponential exp(i∆t)Ψ0. This partition function is typically easy to compute and encodes certain topological and combinatorial data of the graph.

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Graph Laplacian

Definition The adjacency matrix AΓ of a graph Γ is given by A(i, j) = 1 i ∼ j

  • therwise

and graph Laplacian ∆Γ ∆Γ(i, j) =    val(i) i = j −1 i ∼ j

  • therwise
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Example

Given a graph Γ 1 2 3 4 AΓ =     1 1 1 1 1 1 1 1     and ∆Γ =     1 −1 −1 3 −1 −1 −1 2 −1 −1 −1 2    

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Result on “new paths”

Theorem For a graph Γ ∆k

Γ(i, j) =

  • |γi→j|=k

sgn(γ) where the sum is taken over “new paths” γi→j of length k starting from vertex i and ending at j.

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Application to topology

We can use the Laplacian ∆ to calculate Betti numbers of graphs b0 = dim(ker(∆)) b1 = dim(coker(∆)) 1 2 3 1 2 3 4 1 2 3 4

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Evolution of quantum states

The Schr¨

  • dinger operator in QM is -∆ + u(x) We use

u(x)=0. Solve the ODE:

∂φ ∂t = −∆φ

3 6 7 4 5

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Atomistic simulation

Heat Diffusion in Gallium