Quantum chemistry is one of the leading application areas of quantum computers. Master the use of PennyLane to construct molecular Hamiltonians, design quantum circuits for quantum chemistry, and simulate properties of molecules and materials.
.. gallery-item::
:tooltip: Explore quantum chemistry in PennyLane.
:figure: demonstrations/quantum_chemistry/water_structure.png
:description: :doc:`demos/tutorial_quantum_chemistry`
:tags: chemistry
.. gallery-item::
:tooltip: Find the ground state of a Hamiltonian.
:figure: demonstrations/variational_quantum_eigensolver/pes_h2.png
:description: :doc:`demos/tutorial_vqe`
:tags: autograd chemistry
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:tooltip: Discover the building blocks of quantum circuits for quantum chemistry
:figure: demonstrations/givens_rotations/Givens_rotations.png
:description: :doc:`demos/tutorial_givens_rotations`
:tags: chemistry
.. gallery-item::
:tooltip: Differentiable Hartree-Fock Solver.
:figure: demonstrations/differentiable_HF/h2.png
:description: :doc:`demos/tutorial_differentiable_HF`
:tags: chemistry
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:tooltip: Adaptive circuits for quantum chemistry.
:figure: demonstrations/adaptive_circuits/thumbnail_adaptive_circuits.png
:description: :doc:`demos/tutorial_adaptive_circuits`
:tags: chemistry
.. gallery-item::
:tooltip: Study chemical reactions using VQE.
:figure: demonstrations/vqe_bond_dissociation/reaction.png
:description: :doc:`demos/tutorial_chemical_reactions`
.. gallery-item::
:tooltip: Optimizing the geometry of molecules.
:figure: demonstrations/mol_geo_opt/fig_thumbnail.png
:description: :doc:`demos/tutorial_mol_geo_opt`
:tags: chemistry
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:tooltip: VQE in different spin sectors
:figure: demonstrations/vqe_spin_sectors/thumbnail_spectra_h2.png
:description: :doc:`demos/tutorial_vqe_spin_sectors`
:tags: chemistry
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:tooltip: Optimize and reduce the number of measurements required to evaluate a variational algorithm cost function.
:figure: demonstrations/measurement_optimize/meas_optimize_thumbnail.png
:description: :doc:`demos/tutorial_measurement_optimize`
:tags: chemistry
.. gallery-item::
:tooltip: Evaluate the potential energy surface of H2 with parallel QPUs
:figure: demonstrations/vqe_parallel/vqe_diagram.png
:description: :doc:`demos/vqe_parallel`
:tags: chemistry
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:tooltip: Qubit tapering with symmetries
:figure: demonstrations/qubit_tapering/qubit_tapering.png
:description: :doc:`demos/tutorial_qubit_tapering`
:tags: chemistry
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:tooltip: Classically-boosted Variational Quantum Eigensolver
:figure: demonstrations/classically_boosted_vqe/CB_VQE.png
:description: :doc:`demos/tutorial_classically_boosted_vqe`
:tags: chemistry
.. gallery-item::
:tooltip: Quantum Resource Estimation.
:figure: demonstrations/resource_estimation/resource_estimation.jpeg
:description: :doc:`demos/tutorial_resource_estimation`
:tags: chemistry
.. gallery-item::
:tooltip: Using PennyLane with PySCF and OpenFermion
:figure: demonstrations/external_libs/thumbnail_tutorial_external_libs.png
:description: :doc:`demos/tutorial_qchem_external`
:tags: chemistry
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:tooltip: Fermionic Operators
:figure: demonstrations/fermionic_operators/thumbnail_tutorial_fermionic_operators.png
:description: :doc:`demos/tutorial_fermionic_operators`
:tags: chemistry
.. toctree::
:maxdepth: 2
:hidden:
demos/tutorial_quantum_chemistry
demos/tutorial_vqe
demos/tutorial_givens_rotations
demos/tutorial_differentiable_HF
demos/tutorial_adaptive_circuits
demos/tutorial_chemical_reactions
demos/tutorial_fermionic_operators
demos/tutorial_mol_geo_opt
demos/tutorial_vqe_spin_sectors
demos/tutorial_measurement_optimize
demos/vqe_parallel
demos/tutorial_qubit_tapering
demos/tutorial_classically_boosted_vqe
demos/tutorial_qchem_external
demos/tutorial_resource_estimation