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Hamiltonians and simulating quantum physics

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What is a Hamiltonian?

The "Hamiltonian” of a quantum system governs:

  • How the quantum state of the system evolves in time
  • The energy of a given state of the system

 

 

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Time evolution of a quantum system

The "Hamiltonian” specifies how the state of the system evolves in time, according to Schrödinger’s equation:

 

Solution:

 

?

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Time evolution of a quantum system

The "Hamiltonian” specifies how the state of the system evolves in time, according to Schrödinger’s equation:

 

Solution:

 

 

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Time evolution of a quantum system

The "Hamiltonian” specifies how the state of the system evolves in time, according to Schrödinger’s equation:

 

Solution:

 

 

Is this unitary?

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Time evolution of a quantum system

The "Hamiltonian” specifies how the state of the system evolves in time, according to Schrödinger’s equation:

 

Solution:

 

 

Is this unitary?

Yes, when H is Hermitian.

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Time evolution of a quantum system

The "Hamiltonian” specifies how the state of the system evolves in time, according to Schrödinger’s equation:

 

Solution:

 

 

Is this unitary?

Yes, when H is Hermitian.

Can we implement

this efficiently?

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Time evolution of a quantum system

Simulating the evolution of quantum systems is a critical problem with many important applications

  • Material sciences
  • Drug discovery
  • Energy production
  • Fertilizer production, e.g. Nitrogen Fixation

Turns Nitrogen into Ammonia through the help of a catalyst (FeMoco)

1-3% of the world’s energy!

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Hamiltonian Simulation, more formally

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Hamiltonian Simulation, more formally

Can quantum computers solve this problem efficiently?

 

 

Input:

Output:

 

 

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Local Hamiltonians

Typical Hamiltonians occurring in nature are “local”:

particles interact with nearby ones

 

Each term captures a “constraint’’ on a few qubits of the

quantum system, e.g. electrical attraction between two particles, nuclear forces..

 

 

 

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Local Hamiltonians

Typical Hamiltonians occurring in nature are “local”:

particles interact with nearby ones

 

Can quantum computers solve Hamiltonian Simulation

efficiently for these kinds of Hamiltonians?

 

 

 

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Local Hamiltonians

Can quantum computers solve Hamiltonian Simulation for these kinds of Hamiltonians?

 

Best classical algorithm runtime: still exponential

 

 

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Hamiltonian Simulation: the optimistic view

  • Material sciences
  • Drug discovery
  • Energy production
  • Fertilizer production, e.g. Nitrogen Fixation

. . .

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Hamiltonian Simulation: the cautious view

Understanding nitrogen fixation is not just about

time evolution. It is mostly about computing “energies”.

However, it’s plausible that there are practical speedups for classes of Hamiltonians of practical interest (there are promising heuristics). We are optimistic that we’ll learn more once we have large enough quantum computers.

No provable speedups for computing the ground state energy of a quantum system. This problem is thought to be hard even for quantum computers (in the worst case).

Not as easy!