This Perspective focuses on the several overlaps between quantum algorithms and Monte
Carlo methods in the domains of physics and chemistry. We will analyze the challenges and …

Quantum phase estimation based on qubitization is the state-of-the-art fault-tolerant
quantum algorithm for computing ground-state energies in chemical applications. In this …

The phase estimation algorithm is crucial for computing the ground-state energy of a
molecular electronic Hamiltonian on a quantum computer. Its efficiency depends on the …

Several benchmarks have been proposed to holistically measure quantum computing
performance. While some have focused on the end user's perspective (eg, in application …

We propose to use wave function overlaps obtained from a quantum computer as inputs for
the classical split-amplitude techniques, tailored and externally corrected coupled cluster, to …

Computational cost of energy estimation for molecular electronic Hamiltonians via quantum
phase estimation (QPE) grows with the difference between the largest and smallest …

The computational cost of quantum algorithms for physics and chemistry is closely linked to
the spectrum of the Hamiltonian, a property that manifests in the necessary rescaling of its …

This paper improves and demonstrates the usefulness of the first quantized plane-wave
algorithms for the quantum simulation of electronic structure. We describe our quantum …

We propose an imaginary time equivalent of the well-established Pauli gadget primitive for
Trotter-decomposed real time evolution, using mid-circuit measurements on a single ancilla …

We present the first hardware implementation of electrostatic interaction energies by using a
trapped-ion quantum computer. As test system for our computation, we focus on the …