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We consider 1-qubit mixed quantum state estimation by adaptively updating measurements according to previously obtained outcomes and measurement settings. Updates are determined by the average-variance-optimality (A-optimality) criterion,…

Quantum Physics · Physics 2012-05-21 Takanori Sugiyama , Peter S. Turner , Mio Murao

The electronic structure problem is one of the main problems in modern theoretical chemistry. While there are many already-established methods both for the problem itself and its applications like semi-classical or quantum dynamics, it…

Quantum Physics · Physics 2024-10-25 Martin Beseda , Silvie Illésová , Saad Yalouz , Bruno Senjean

We introduce an architecture for variational quantum algorithms that can be efficiently trained via parameter updates along exact geodesics on the Riemannian state manifold. This features a parameter-optimal circuit ansatz which supersedes…

Estimating nonlinear properties such as R\'enyi entropies and observable-weighted moments serves as a central strategy for spectrum spectroscopy, which is fundamental to property prediction and analysis in quantum information science,…

Quantum Physics · Physics 2025-09-30 Xiao Shi , Jiyu Jiang , Xian Wu , Jingu Xie , Hongshun Yao , Xin Wang

Achieving an accurate description of fermionic systems typically requires considerably many more orbitals than fermions. Previous resource analyses of quantum chemistry simulation often failed to exploit this low fermionic number…

Quantum Physics · Physics 2022-05-24 Sam McArdle , Earl Campbell , Yuan Su

We use a constrained convex optimization (CCO) method to experimentally characterize arbitrary quantum states and unknown quantum processes on a two-qubit NMR quantum information processor. Standard protocols for quantum state and quantum…

Quantum Physics · Physics 2025-10-31 Akshay Gaikwad , Arvind , Kavita Dorai

Variational quantum algorithms on bosonic quantum processors are an emerging paradigm for quantum chemistry calculations, exploiting the natural alignment between molecular structure and harmonic oscillator-based hardware. We introduce the…

Quantum Physics · Physics 2026-04-21 Marlon F. Jost , Sijia S. Dong

Determining quantum excited states is crucial across physics and chemistry but presents significant challenges for variational methods, primarily due to the need to enforce orthogonality to lower-energy states, often requiring…

Quantum Physics · Physics 2025-05-01 Shi-Xin Zhang , Lei Wang

Reduced density matrix functional theory (RDMFT) calculations are usually implemented in a decoupled manner, where the orbital and occupation optimizations are repeated alternately. Typically, orbital updates are performed using the unitary…

Chemical Physics · Physics 2024-09-04 Yi-Fan Yao , Neil Qiang Su

The current state of quantum computing is commonly described as the Noisy Intermediate-Scale Quantum era. Available computers contain a few dozens of qubits and can perform a few dozens of operations before the inevitable noise erases all…

Quantum Physics · Physics 2024-09-25 Ijaz Ahamed Mohammad , Matej Pivoluska , Martin Plesch

We present a quantum-classical hybrid algorithm for calculating the ground state and its energy of the quantum many-body Hamiltonian by proposing an adaptive construction of a quantum state for the quantum-selected configuration interaction…

Quantum Physics · Physics 2024-12-12 Yuya O. Nakagawa , Masahiko Kamoshita , Wataru Mizukami , Shotaro Sudo , Yu-ya Ohnishi

Building on previous research on frequency allocation optimization for superconducting circuit quantum processors, this work incorporates several new techniques to improve overall solution quality. New features include tightening…

Quantum Physics · Physics 2025-01-27 Zewen Zhang , Pranav Gokhale , Jeffrey M. Larson

Quantum phase estimation is an important routine in many quantum algorithms, particularly for estimating the ground state energy in quantum chemistry simulations. This estimation involves applying powers of a unitary to the ground state,…

Quantum Physics · Physics 2026-01-26 Kaur Kristjuhan , Dominic W. Berry

A new method is proposed for determining the ground state wave function of a quantum many-body system on a quantum computer, without requiring an initial trial wave function that has good overlap with the true ground state. The technique of…

Quantum Physics · Physics 2017-09-26 David B. Kaplan , Natalie Klco , Alessandro Roggero

We introduce an approximate description of an $N$-qubit state, which contains sufficient information to estimate the expectation value of any observable with precision independent of $N$. We show, in fact, that the error in the estimation…

Quantum Physics · Physics 2019-11-14 Marco Paini , Amir Kalev

Problems in quantum chemical simulations, especially achieving accurate excited-state potential energy surfaces, are among the primary applications to achieve quantum utility. On near-term quantum hardware, variants of the variational…

The recent literature on near-term applications for quantum computers contains several examples of the applications of hybrid quantum/classical variational approaches. This methodology can be applied to a variety of optimization problems,…

Quantum Physics · Physics 2019-01-23 Giacomo Nannicini

Optimizing over separable quantum objects is challenging for two key reasons: determining separability is NP-hard, and the dimensionality of the problem grows exponentially with the number of qubits. We address both challenges by…

Quantum Physics · Physics 2025-10-01 Ankith Mohan , Tobias Haug , Kishor Bharti , Jamie Sikora

Due to the exponential complexity of the resources required by quantum state tomography (QST), people are interested in approaches towards identifying quantum states which require less effort and time. In this paper, we provide a tailored…

Information Theory · Computer Science 2017-08-02 K. Li , J. Zhang , S. Cong

The Quantum Approximate Optimization Algorithm, QAOA, uses a shallow depth quantum circuit to produce a parameter dependent state. For a given combinatorial optimization problem instance, the quantum expectation of the associated cost…

Quantum Physics · Physics 2018-12-12 Fernando G. S. L. Brandao , Michael Broughton , Edward Farhi , Sam Gutmann , Hartmut Neven