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How to Simulate Quantum Computers on Classical Machines

 1. Why Quantum Simulation Is Hard

A quantum state of n qubits is described by a vector of 2 complex amplitudes.

Example:

10 qubits 1,024 amplitudes

30 qubits 1 billion amplitudes

50 qubits ~1 quadrillion amplitudes

60+ qubits practically impossible on a single classical computer

This exponential growth means:

Memory and compute explode quickly

Simulation time increases dramatically

Only small to medium circuits (typically up to 3040 qubits) can be simulated exactly on a laptop

To go beyond this, specialized algorithms or HPC clusters are used.

2. Two Main Approaches to Classical Quantum Simulation

A. State Vector Simulation (Exact, but Exponential)

You store the full quantum state (2 amplitudes) in memory.

Key ideas:

Represent the quantum state as a complex vector.

Apply gates as unitary matrices acting on the vector.

Each gate modifies all relevant amplitudes.

Pros

Exact simulation

Fast for small qubit counts

Easy to implement and widely supported

Cons

Requires 16 × 2 bytes (complex64) or more

~28 qubits fits in 1 GB RAM

~34 qubits ~128 GB RAM

Quickly becomes impossible for large n

Tools

Qiskit Aer (IBM)

QuTiP

Cirq Simulator

NVIDIA cuQuantum (GPU-accelerated)

Simulatrices in PennyLane

B. Tensor Network Simulation (Approximate or Structured Circuits)

Instead of storing the full 2 vector, you break the circuit into tensors and contract them efficiently.

Key ideas:

Use graph-like structures (MPS, PEPS, MERA, etc.)

Contract tensors in optimal order

Exploit low entanglement in many practical circuits

Pros

Can simulate 50100+ qubits in special cases

Extremely efficient for circuits with limited entanglement

Used in physics and chemistry simulations (DMRG, TEBD)

Cons

Struggles with highly entangled circuits

Approximation errors may accumulate

Tools

ITensor

Quimb

TensorNetwork (Google)

Cotengra / opt-einsum

3. Hybrid Methods

Combining approaches allows simulation of larger or more complex systems:

Examples

SchrödingerFeynman method: splits qubits into two halves

Path integral methods: sum over all histories (good for shallow circuits)

Stabilizer formalism (GottesmanKnill): efficient for Clifford circuits

Density matrix simulation: for noise modeling, but even more expensive

Hybrid techniques often mix:

State vector methods

Tensor networks

Classical sampling

Some simulators automatically choose the best approach for each gate or region of the circuit.

4. Classical Hardware Used for Quantum Simulation

Because simulation requires massive compute resources, specialized architectures are helpful.

CPUs

Good for large memory

Used in supercomputing clusters

Can simulate 4045 qubits with distributed memory

GPUs

Excellent for linear algebra

NVIDIA cuQuantum accelerates quantum simulation by huge factors

Can simulate up to 3040 qubits efficiently on a multi-GPU setup

Supercomputers

Top HPC machines can simulate 5060 qubits using:

distributed tensor networks

thousands of CPU cores

petabytes of memory

Examples:

Google’s 53-qubit Sycamore simulation

IBM’s HPC experiments

HPC clusters using cuQuantum DGX nodes

5. Noisy Quantum Simulation

To model real hardware, you include:

decoherence

depolarizing noise

T1/T2 relaxation

readout errors

crosstalk

Approaches:

density matrix representation (4 complexity) expensive

Monte Carlo trajectory simulation (stochastic)

Approximate noise models (Pauli channels)

Tools:

Qiskit NoiseModel, Cirq Noise, PennyLane QNode with noise.

6. Practical Steps to Simulate a Quantum Circuit

Here’s a typical workflow:

Describe the circuit

Create qubits and apply gates.

Choose the simulation model

state vector (exact)

tensor network (efficient for structured circuits)

stabilizer (fast for Clifford circuits)

Run the circuit

Use a simulator backend (e.g., Qiskit Aer).

Measure the output

Classical sampling of the quantum state.

Analyze results

Compute expectation values, probability distributions, or final bitstrings.

7. What Classical Simulation Is Used For

Even with limitations, classical quantum simulation is essential for:

Algorithm development (e.g., QAOA, VQE, QFT)

Circuit optimization

Error correction research

Hardware testing and benchmarking

Education and training

AI + quantum hybrid workflows

It allows developers to validate quantum programs without needing access to real quantum devices.

8. The Limits of Classical Simulation

Even the best algorithms and supercomputers cannot simulate universal quantum circuits beyond ~6070 qubits with high depth.

This is why:

quantum supremacy experiments target >50 qubits

real quantum hardware is essential for exploring deep, highly entangled computation

simulation helps research, but cannot replace real quantum machines

Summary

Simulating quantum computers on classical machines relies on:

State vector simulation

Fast and exact, but scales as 2.

Tensor network simulation

More scalable for low entanglement circuits.

Hybrid and specialized methods

Handle large circuits with structure or approximations.

HPC + GPU acceleration

Pushes simulation limits to 50+ qubits.

Noise simulation

Models realistic hardware behavior.

Despite classical limits, simulation is vital for building the quantum future.

Learn Quantum Computing Training in Hyderabad

Read More

Running Quantum Circuits on IBM Quantum Computers

The Differences Between Qiskit, Cirq, and Braket

Introduction to Cirq: Google’s Quantum Programming Framework

Getting Started with Qiskit: Your First Quantum Program

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