An algorithm is presented for estimating distribution complexity of electronic structure Hamiltonians, with O(N^3) entanglement estimation per fragment and quadratic/exponential reductions in distribution cost for quantum and classical interconnects.
Quantum Simulation of Electronic Structure with Linear Depth and Connectivity
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abstract
As physical implementations of quantum architectures emerge, it is increasingly important to consider the cost of algorithms for practical connectivities between qubits. We show that by using an arrangement of gates that we term the fermionic swap network, we can simulate a Trotter step of the electronic structure Hamiltonian in exactly $N$ depth and with $N^2/2$ two-qubit entangling gates, and prepare arbitrary Slater determinants in at most $N/2$ depth, all assuming only a minimal, linearly connected architecture. We conjecture that no explicit Trotter step of the electronic structure Hamiltonian is possible with fewer entangling gates, even with arbitrary connectivities. These results represent significant practical improvements on the cost of most Trotter based algorithms for both variational and phase estimation based simulation of quantum chemistry.
fields
quant-ph 1years
2026 1verdicts
UNVERDICTED 1representative citing papers
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Distribution Complexity of Electronic Structure Simulations on Quantum Supercomputers
An algorithm is presented for estimating distribution complexity of electronic structure Hamiltonians, with O(N^3) entanglement estimation per fragment and quadratic/exponential reductions in distribution cost for quantum and classical interconnects.