Molecular ground-state energies by phase estimation
Compute the ground-state energy of an atom or molecule, a calculation whose time the paper states scales exponentially with system size on a classical computer.
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Compute the ground-state energy of an atom or molecule, a calculation whose time the paper states scales exponentially with system size on a classical computer.
Simulate strongly correlated chemical systems on near-term quantum hardware, whose noise and limited size otherwise confine such simulations to small chemical systems, by embedding a quantum treatment of a strongly correlated fragment within a larger classical calculation.
Predict the three-dimensional structure a protein takes from its primary sequence of amino acids, posed here on the model Hamiltonian the paper defines for a chain of N monomers placed on a tetrahedral lattice.
A ground-state preparation method that projects non-unitary imaginary-time evolution onto a parameterized quantum circuit.
The eigenphase-estimation primitive behind chemistry, simulation, and period-finding workflows.
Represent the spectrum of a quantum chemistry Hamiltonian, given in an arbitrary (for example molecular) orbital basis, as a block-encoded quantum circuit cheap enough to support phase estimation of a molecular eigenvalue.
A hybrid chemistry workflow that compares a quantum expectation loop with classical eigensolvers.
Repeated paired generalized doubles with generalized singles trade expressivity against shallower chemistry circuits.
A chemistry-inspired unitary coupled-cluster ansatz truncated to single and double excitations.