Related papers: Demonstration of logical quantum phase estimation …
We present a reciprocal-space pseudopotential scheme for calculating X-ray absorption near-edge structure (XANES) spectra. The scheme incorporates a recursive method to compute absorption cross section as a continued fraction. The continued…
We develop an energy calculation algorithm leveraging quantum phase difference estimation (QPDE) scheme and a tensor-network-based unitary compression method in the preparation of superposition states and time-evolution gates. Alongside its…
X-ray absorption spectroscopy (XAS) is an element-specific materials characterization technique that is sensitive to structural and electronic properties. First-principles simulated XAS has been widely used as a powerful tool to interpret…
We propose an approach for quantum amplitude estimation (QAE) designed to enhance computational efficiency while minimizing the reliance on quantum resources. Our method leverages quantum computers to generate a sequence of signals, from…
Demonstrations of quantum computational advantage and benchmarks of quantum processors via quantum random circuit sampling are based on evaluating the linear cross-entropy benchmark (XEB). A key question in the theory of XEB is whether it…
Time-dependent and constituent-specific spectral changes in soft near edge X-ray spectroscopy (XAS) of an [Fe/MgO]$_8$ metal/insulator heterostructure upon laser excitation are analyzed at the O K-edge with picosecond time resolution. The…
Accurate calibration of control parameters in quantum gates is crucial for high-fidelity operations, yet it represents a significant time and resource challenge, necessitating periods of downtime for quantum computers. Robust Phase…
While quantum algorithms for simulation exhibit better asymptotic scaling than their classical counterparts, they currently cannot be implemented on real-world devices. Instead, chemists and computer scientists rely on costly classical…
Quantum simulation of molecular electronic structure is one of the most promising applications of quantum computing. However, achieving chemically accurate predictions for strongly correlated systems requires quantum phase estimation (QPE)…
This chapter introduces the use of X-ray absorption spectroscopy (XAS) in studying the local electronic and atomic structure of high-entropy materials. The element selectivity of XAS makes it particularly suitable to address the challenges…
We present a scalable formal verification methodology for Quantum Phase Estimation (QPE) circuits. Our approach uses a symbolic qubit abstraction based on quantifier-free bit-vector logic, capturing key quantum phenomena, including…
As fully fault-tolerant quantum computers capable of solving useful problems remain a distant goal, we anticipate an era of "early fault tolerance" where limited error correction is available. We propose a framework for designing early…
We present the first demonstration of an end-to-end pipeline with quantum error correction (QEC) for a quantum computation of the electronic structure of molecular systems. We calculate the ground-state energy of molecular hydrogen, using…
Quantum computers are capable of calculating the energy gap of two electronic states by using the quantum phase difference estimation (QPDE) algorithm. The Bayesian inference based implementations for the QPDE have been reported so far, but…
X-ray absorption spectroscopy (XAS) is an explicit probe of the unoccupied electronic structure of materials and an invaluable tool for fingerprinting various electronic properties and phenomena. Computational methods capable of simulating…
Quantum parameter estimation is central to many fields such as quantum computation, communications and metrology. Optimal estimation theory has been instrumental in achieving the best accuracy in quantum parameter estimation, which is…
Quasiparticle interference imaging (QPI) offers insight into the band structure of quantum materials from the Fourier transform of local density of states (LDOS) maps. Their acquisition with a scanning tunneling microscope is traditionally…
We demonstrate experimental implementation of robust phase estimation (RPE) to learn the phases of X and Y rotations on a trapped $\textrm{Yb}^+$ ion qubit. We estimate these phases with uncertainties less than $4\cdot10^{-4}$ radians using…
In this brief paper, we go through the theoretical steps of the spectral clustering on quantum computers by employing the phase estimation and the amplitude amplification algorithms. We discuss circuit designs for each step and show how to…
X-ray absorption spectroscopy at the L-edge probes transitions of 2p-electrons into unoccupied d-states. Applied to transition metal atoms, this experimental technique can provide valuable information about the electronic structure of…