Calculating Entanglement Entropy with Python
Published: 2023-05-31 14:16:28

Quantum entanglement is a phenomenon where two or more particles exhibit a strong correlation that cannot be explained by classical physics.

When two particles are entangled, their properties become intertwined, such that measuring the state of one particle instantly affects the state of the other particle, no matter how far apart they are. This behavior is known as nonlocality and violates classical notions of causality.

Quantum entanglement is a fundamental concept in quantum mechanics and has important implications for quantum computing, cryptography, and communication. In recent years, there has been a growing interest in using Python to simulate and analyze quantum systems, including those involving quantum entanglement.


![Image description](https://dev-to-uploads.s3.amazonaws.com/uploads/articles/qctpgif8648jyr4y2tbv.png)



This article will provide a comprehensive understanding of quantum entanglement and introduce the concept of entanglement entropy and will also cover how to calculate entanglement entropy using Python. Hence, this article is aimed at readers who have a basic understanding of quantum mechanics and programming in Python.

## Brief History of Entanglement Entropy
Entanglement has been known since the early days of quantum mechanics, but entanglement entropy only emerged as a concept in the 1970s, when it was introduced as a measure of quantum entanglement by the physicist Benoit B. Mandelbrot.

Since then, entanglement entropy has been the subject of intense research in both the fields of quantum information theory and condensed matter physics. It has been used to study many-body systems and to explore the properties of black holes, among other applications. 

In recent years, the development of powerful computational tools has allowed researchers to calculate entanglement entropy for increasingly complex systems, making it an important tool for studying the behavior of quantum systems.

## Concepts and Definitions
Quantum mechanics is the theory describing the behavior of matter and energy at the atomic and subatomic level. Quantum states are the different possible states that a quantum system can be in, and they are represented by a vector in a complex vector space.

### Quantum States
In quantum mechanics, a quantum state is a mathematical description of a physical system. The state describes the probability of finding the system in a certain configuration or state. The state of a quantum system is represented by a wave function, which is a complex function that describes the probability amplitude of finding the system in a particular state.

The wave function can be used to calculate the probability of all possible outcomes of a measurement on the system. A quantum state can be entangled, which means that the state of one particle is dependent on the state of another particle, even if they are separated by large distances. This property of entanglement is fundamental to quantum mechanics and has important implications for information processing and cryptography.


![Image description](https://dev-to-uploads.s3.amazonaws.com/uploads/articles/lm1h5ql3f7i5gk7mz9bo.png)



### Bipartite systems
In quantum mechanics, a system of two or more particles that are entangled can be described as a bipartite system. A bipartite system is a system that can be divided into two distinct parts, also known as subsystems. In the case of an entangled bipartite system, the state of one subsystem is dependent on the state of the other subsystem.The entanglement between the two subsystems can be quantified by calculating the entanglement entropy.


![Image description](https://dev-to-uploads.s3.amazonaws.com/uploads/articles/mc59ckf47skflvtsbzwb.png)



### Reduced Density Matrices
In quantum mechanics, a pure state of a system is represented by a wave function. However, when dealing with entangled states, we need to work with composite systems that have multiple states. The reduced density matrix is used to describe the state of a subsystem within a larger quantum system.

We can obtain the reduced density matrix by tracing over the degrees of freedom of the complementary subsystem. In python, we can calculate the reduced density matrix using the partial_trace function from the qutip library.

### Von Neumann entropy
In the field of quantum mechanics, Von Neumann entropy is used to describe the amount of uncertainty present in a quantum system. It is a measure of the amount of information that is missing in a quantum state. This concept is named after the mathematician John von Neumann who introduced the idea of entropy in quantum mechanics in 1927.

The Von Neumann entropy is mathematically defined as the negative of the trace of the product of the density matrix of the system and the logarithm of the density matrix. It is a fundamental concept in quantum mechanics and is widely used in the study of quantum entanglement.

## Calculating Entanglement Entropy with Python
Quantum entanglement is a fascinating phenomenon where two or more quantum systems become correlated and share a quantum state. One of the intriguing features of entangled systems is that the measurement of one of them instantaneously affects the other, regardless of the distance between them. Entanglement entropy is a measure of the degree of entanglement between two subsystems.

In this part, we will explore how to calculate entanglement entropy using Python. We will use the density matrix formalism to obtain the reduced density matrix of a subsystem and then calculate the von Neumann entropy of the reduced density matrix to obtain the entanglement entropy.

### Installing Necessary Packages (NumPy, SciPy, matplotlib)
To calculate quantum entanglement entropy using Python, we need to install several packages.

NumPy is a package for scientific computing with Python, providing support for arrays and matrices. SciPy is another package that adds features to NumPy, providing functions for optimization, integration, interpolation, eigenvalue problems, etc. Matplotlib is a plotting library for Python, which helps us to visualize data and results. To install these packages, we can use the following commands:

```
!pip install numpy
!pip install scipy
!pip install matplotlib
```

After executing these commands, we will have NumPy, SciPy, and matplotlib installed on our system and ready to use.


![Image description](https://dev-to-uploads.s3.amazonaws.com/uploads/articles/tj6g30mmtnybcfrd6nyk.png)



### Creating the virtual environment
Before we start exploring quantum entanglement with Python, we need to create a virtual environment to install the required libraries. We can use venv module that comes integrated with Python from version 3.3 to create the virtual environment.

First, let's create a new directory where we will create the virtual environment. We can name the directory anything we want, but for this article, we will name it entanglement. The following commands will create the directory and the virtual environment inside it:

```
mkdir entanglement
cd entanglement
python -m venv env
```

Once we have created the virtual environment, we activate it by running the following command on the terminal:

```
source env/bin/activate
```

Now, we have created and activated the virtual environment, and we can install the necessary libraries to explore quantum entanglement.

### Writing Code to Calculate Entanglement Entropy
Here's an example code snippet to calculate the entanglement entropy for a quantum spin chain using the density matrix approach:

```python
import numpy as np
from scipy.linalg import logm

# Define the density matrix of the quantum spin chain
density_matrix = np.array([[0.4, 0.2], [0.2, 0.6]])

# Compute the eigenvalues of the density matrix
eigenvalues = np.linalg.eigvalsh(density_matrix)

# Filter out eigenvalues close to zero
filtered_eigenvalues = eigenvalues[np.abs(eigenvalues) > 1e-12]

# Calculate the logarithm of the filtered eigenvalues
log_eigenvalues = np.log(filtered_eigenvalues)

# Compute the entanglement entropy using the von Neumann entropy formula
entanglement_entropy = -np.sum(filtered_eigenvalues * log_eigenvalues)

print("Entanglement Entropy:", entanglement_entropy)
```

In this example, the density_matrix represents the density matrix of the quantum spin chain. We calculate the eigenvalues of the density matrix, filter out eigenvalues close to zero, compute the logarithm of the filtered eigenvalues, and finally apply the von Neumann entropy formula to obtain the entanglement entropy.


![Image description](https://dev-to-uploads.s3.amazonaws.com/uploads/articles/oqlg98s1tpi6ct91lbkx.png)



### Calculating the Reduced Density Matrices
In order to calculate the entanglement entropy, we first need to calculate the reduced density matrices of the system. To do this, we need to trace out the degrees of freedom of one of the subsystems, which gives us the reduced density matrix for that subsystem.

For a bipartite system, this can be done by taking the partial trace of the density matrix over the degrees of freedom of one of the subsystems.

In Python, we can use the numpy library to calculate the reduced density matrices. The function numpy.trace can be used to take the trace of a matrix, and the function numpy.einsum can be used to contract the indices of a tensor.

Here's an example code snippet that demonstrates the calculation:

```python
import numpy as np

# Define the state vector or density matrix of the quantum system
state = np.array([0, 0, 1, 0])  # Example state for a 2-qubit system (basis: |00>, |01>, |10>, |11>)

# Define the subsystems you want to calculate the reduced density matrices for
subsystem_A_indices = [0]  # Indices of qubits in subsystem A
subsystem_B_indices = [1]  # Indices of qubits in subsystem B

# Calculate the reduced density matrices
dims = [2] * len(state)  # Dimension of each qubit
dims_A = [dims[i] for i in subsystem_A_indices]  # Dimension of subsystem A
dims_B = [dims[i] for i in subsystem_B_indices]  # Dimension of subsystem B

# Calculate the reduced density matrix of subsystem A
rho_A = np.reshape(state, dims).sum(axis=tuple(subsystem_B_indices)).reshape(dims_A * 2)

# Calculate the reduced density matrix of subsystem B
rho_B = np.reshape(state, dims).sum(axis=tuple(subsystem_A_indices)).reshape(dims_B * 2)

print("Reduced Density Matrix of Subsystem A:")
print(rho_A)
print("\nReduced Density Matrix of Subsystem B:")
print(rho_B)
```

In this example, we define the state vector or density matrix of the quantum system. For a state vector, you can represent it as a 1D array, and for a density matrix, you can represent it as a 2D array.

We then specify the indices of the qubits belonging to the subsystems for which we want to calculate the reduced density matrices (subsystem A and subsystem B in this case).

The code then calculates the reduced density matrices rho_A and rho_B by summing over the indices corresponding to the complement subsystems. The reshape function is used to reshape the resulting array to the appropriate dimensions based on the dimensions of the subsystems.

After executing the code, you will obtain the reduced density matrices rho_A and rho_B for subsystems A and B, respectively. These reduced density matrices can be further used to calculate entanglement entropy using methods such as the von Neumann entropy.

### Computing the Von Neumann entropy
Once we have the reduced density matrix, we can calculate the Von Neumann entropy, which is a measure of the entanglement between two subsystems.

In Python, we can use the numpy and scipy libraries to compute the eigenvalues and eigenvectors of the density matrix, and then use those to calculate the Von Neumann entropy. The code to do this is relatively simple and can be implemented in just a few lines, making it easy to explore quantum entanglement numerically.

```python
import numpy as np
from scipy.linalg import logm

# Define the reduced density matrix
rho_A = np.array([[0.7, 0.3], [0.3, 0.3]])

# Compute the eigenvalues of the reduced density matrix
eigenvalues = np.linalg.eigvalsh(rho_A)

# Filter out eigenvalues close to zero
filtered_eigenvalues = eigenvalues[np.abs(eigenvalues) > 1e-12]

# Compute the logarithm of the filtered eigenvalues
log_eigenvalues = np.log2(filtered_eigenvalues)

# Compute the von Neumann entropy using the filtered eigenvalues
entropy = -np.sum(filtered_eigenvalues * log_eigenvalues)

print("Von Neumann Entropy:", entropy)
```

In this example, the rho_A matrix represents the reduced density matrix of subsystem A. We calculate the eigenvalues of the reduced density matrix using np.linalg.eigvalsh. Next, we filter out eigenvalues close to zero to avoid numerical issues. Then, we compute the logarithm of the filtered eigenvalues using np.log2. Finally, we apply the von Neumann entropy formula by multiplying the filtered eigenvalues with the logarithm of eigenvalues and summing them up.

After executing the code, you will obtain the von Neumann entropy value in the variable entropy. This represents the entanglement entropy of subsystem A based on its reduced density matrix.

## Visualizing Entanglement Entropy Using Matplotlib
Matplotlib is a popular Python library used for data visualization and graphical representation.In our case, we can use it to visualize the entanglement entropy of a quantum system. We can plot the entanglement entropy as a function of the number of qubits in the system or as a function of time.

Matplotlib provides many customization options, such as changing the colors, labels, and axis ranges. By visualizing the entanglement entropy, we can gain valuable insights into the behavior of quantum systems and the nature of quantum entanglement.

To visualize entanglement entropy using Matplotlib in Python, you can create a plot that shows how the entropy changes as a function of some parameter or system size. Here's an example code snippet to illustrate this:

```python
import numpy as np
import matplotlib.pyplot as plt

# Define the entanglement entropy data
parameter_values = [1, 2, 3, 4, 5]  # Example parameter values or system sizes
entanglement_entropy = [0.5, 0.8, 1.2, 1.6, 2.0]  # Example entanglement entropy values

# Plotting the entanglement entropy
plt.plot(parameter_values, entanglement_entropy, marker='o')
plt.xlabel('Parameter')
plt.ylabel('Entanglement Entropy')
plt.title('Entanglement Entropy vs. Parameter')
plt.grid(True)
plt.show()
```

In this example, we have two arrays: parameter_values represents the values of the parameter or system size, and entanglement_entropy represents the corresponding entanglement entropy values.

The code utilizes plt.plot() to create a scatter plot of the entanglement entropy data. The marker='o' argument adds circular markers to the data points. You can choose a different marker style if desired.

The plt.xlabel(), plt.ylabel(), and plt.title() functions set labels for the x-axis, y-axis, and the plot title, respectively. The plt.grid(True) statement adds a grid to the plot. Finally, plt.show() displays the plot.

After executing the code, you will see a plot with the parameter values on the x-axis and the entanglement entropy values on the y-axis. This visualization helps in understanding the relationship between the parameter or system size and the corresponding entanglement entropy.


![Image description](https://dev-to-uploads.s3.amazonaws.com/uploads/articles/7dxqs4wvbz48qpuscr14.png)



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## Extended Readings on Python
- [Step-by-Step Guide to Writing List of Files in Directory with Python](https://www.lightly-dev.com/blog/list-of-files-in-directory-python/)
- [How to Convert a List to a Tuple in Python](https://www.lightly-dev.com/blog/python-convert-list-to-tuple/)
- [How to Import Class from Another File in Python](https://www.lightly-dev.com/blog/import-class-from-another-file-python/)