Qiskit Nature overview#


Qiskit Nature is an open-source framework which supports solving quantum mechanical natural science problems using quantum computing algorithms. This includes finding ground and excited states of electronic and vibrational structure problems, measuring the dipole moments of molecular systems, solving the Ising and Fermi-Hubbard models on lattices, and much more.

Qiskit Nature Design

The code comprises various modules revolving around:

  • data loading from chemistry drivers or file formats

  • second-quantized operator construction and manipulation

  • translating from the second-quantized to the qubit space

  • a quantum circuit library of natural science targeted ansatze

  • natural science specific algorithms and utilities to make the use of algorithms from Qiskit Algorithms easier

  • and much more


If you use Qiskit Nature, please cite the following references:

Next Steps#

Getting started

Migration Guides