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What challenges arise when mapping quantum chemistry to qubits?

Asked on Nov 02, 2025

Answer

Mapping quantum chemistry problems to qubits involves several challenges, primarily due to the complexity of simulating molecular systems on quantum hardware. These challenges include accurately representing electronic wavefunctions, dealing with the exponential growth of the Hilbert space, and managing the noise and decoherence inherent in current quantum devices.

Example Concept: Quantum chemistry simulations on quantum computers often use techniques like the Variational Quantum Eigensolver (VQE) to approximate the ground state energy of molecules. The challenge lies in encoding the electronic structure problem into a qubit-based Hamiltonian, which requires efficient mapping strategies such as the Jordan-Wigner or Bravyi-Kitaev transformations. These mappings convert fermionic operators to qubit operators, but they can introduce overhead in terms of qubit count and circuit depth, impacting the feasibility of simulations on near-term quantum devices.

Additional Comment:
  • Mapping strategies must balance between qubit efficiency and circuit complexity.
  • Noise and decoherence in quantum hardware can significantly affect the accuracy of simulations.
  • Hybrid quantum-classical algorithms like VQE are crucial for handling the computational load.
  • Advancements in error correction and noise mitigation are essential for improving simulation fidelity.
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