1 of 15

Hamiltonians and simulating quantum physics

2 of 15

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

 

 

3 of 15

Time evolution of a quantum system

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

 

Solution:

 

?

4 of 15

Time evolution of a quantum system

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

 

Solution:

 

 

5 of 15

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?

6 of 15

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.

7 of 15

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?

8 of 15

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!

9 of 15

Hamiltonian Simulation, more formally

10 of 15

Hamiltonian Simulation, more formally

Can quantum computers solve this problem efficiently?

 

 

Input:

Output:

 

 

11 of 15

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..

 

 

 

12 of 15

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?

 

 

 

13 of 15

Local Hamiltonians

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

 

Best classical algorithm runtime: still exponential

 

 

14 of 15

Hamiltonian Simulation: the optimistic view

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

. . .

15 of 15

Hamiltonian Simulation: the cautious view

Not many examples of concrete Hamiltonians that are:

e.g. understanding nitrogen fixation is not just about

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

However, it’s plausible that, once we have large-scale

quantum computers to play with, we will be able to demonstrate concrete practical speedups, and discover many exciting applications.

  • Of practical interest
  • Intractable for classical computers to simulate
  • Efficiently simulatable on quantum computers (provably)

Not as easy!