Algorithms (qiskit_nature.algorithms
)¶
These are natural science algorithms to solve specific problems such as finding the ground state energy, excited state energies or potential energy surfaces.
Excited State Solvers¶
Algorithms that can find the eigenvalues of an operator, e.g. excited states for chemistry.
The interface for such solvers,
The excited states calculation interface 
the solvers themselves
The calculation of excited states via an Eigensolver algorithm 

The calculation of excited states via the qEOM algorithm 
and factories to provision Quantum and/or Classical algorithms upon which the above solvers may depend
A factory to construct a eigensolver based on a qubit operator transformation. 

A factory to construct a NumPyEigensolver. 
Ground State Solvers¶
Algorithms that can find the minimum eigenvalue of an operator, e.g. ground state for chemistry.
The interface for such solvers,
The ground state calculation interface 
the solvers themselves
A ground state calculation employing the AdaptVQE algorithm. 

Ground state computation using a minimum eigensolver. 
and factories to provision Quantum and/or Classical algorithms upon which the above solvers may depend
A factory to construct a minimum eigensolver based on a qubit operator transformation. 

A factory to construct a NumPyMinimumEigensolver. 

A factory to construct a VQE minimum eigensolver with UCCSD ansatz wavefunction. 

A factory to construct a VQE minimum eigensolver with UVCCSD ansatz wavefunction. 
Potential Energy Surface Samplers¶
Algorithms that can compute potential energy surfaces.
Class to evaluate the BornOppenheimer Potential Energy Surface (BOPES). 
The samplers include extrapolators to facilitate convergence across a set of points and support of various potentials. More detail may be found in the submodule linked below
Potential energy surface samplers ( 