← Atlas

Algorithms · Variational quantum algorithm

Variational quantum eigensolver for ground-state energy

A hybrid chemistry workflow that compares a quantum expectation loop with classical eigensolvers.

Strong empiricalUpdated

Open on the mapView frozen graph

ansatz statePauli measurementsclassical optimizerStep 1 of 3 · U(θ) · on ansatz stateU(θ)Step 2 of 3 · ⟨H⟩ · on ansatz state, Pauli measurements⟨H⟩Step 3 of 3 · θ ← opt · on Pauli measurementsθ ← opt

3 steps across 3 wires. Hover a step, or press play to go through them in order.

Expected outcomes

  • Energy92%
  • Steps3
  • Wires3
  • QubitsProblem mapped
  • LoopQuantum + classical
  • OutputEnergy estimate
  • Papers2

Quantum vs classical

Classical baseline

Exact diagonalization for small Hamiltonians; coupled-cluster, DMRG, tensor networks, or other electronic-structure methods at scale.

Quantum claim

VQE can estimate a variational energy using shallow circuits plus a classical optimizer, not an automatic advantage over mature chemistry software.

How to compare

Compare energy error, total shots, circuit depth, optimizer calls, basis/mapping choices, and classical wall-clock time.

References

Strong empirical
  • Small-instance agreement
  • Invariant & structural checks
  • Peer-reviewed paper
Method
A small Pauli Hamiltonian expectation is compared with exact diagonalization while the classical optimizer is visible.
Result
Pass for the toy Hamiltonian · molecular benchmark remains a separate dataset and basis-set decision.
Caveat
Noise, ansatz expressivity, optimizer convergence, measurement grouping, and mapping choices dominate practical outcomes.
A variational eigenvalue solver on a quantum processor ↗
Kind
curated reference
Reviewed by
LeonaQ literature curation pass
License
Public bibliographic link; code is an original reference implementation
chemistryvqeground statehybrid
  • Molecular ground states and reaction energies
  • Materials and catalyst screening
  • Hybrid quantum chemistry prototyping

Atlas stars stay in the public catalog. Saving this entry to your workspace starts an unstarred private copy.