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Excited states of molecules lie in the heart of photochemistry and chemical reactions. The recent development in quantum computational chemistry leads to inventions of a variety of algorithms that calculate the excited states of molecules…

Quantum Physics · Physics 2020-11-05 Hiroki Kawai , Yuya O. Nakagawa

Quantum computing promises to speed up some of the most challenging problems in science and engineering. Quantum algorithms have been proposed showing theoretical advantages in applications ranging from chemistry to logistics optimization.…

Quantum Physics · Physics 2021-11-12 Niklas Heim , Atiyo Ghosh , Oleksandr Kyriienko , Vincent E. Elfving

When a probe qubit is coupled to a quantum register that represents a physical system, the probe qubit will exhibit a dynamical response only when it is resonant with a transition in the system. Using this principle, we propose a quantum…

Quantum Physics · Physics 2014-02-19 Hefeng Wang , Heng Fan , Fuli Li

The hope of the quantum computing field is that quantum architectures are able to scale up and realize fault-tolerant quantum computing. Due to engineering challenges, such ''cheap'' error correction may be decades away. In the meantime, we…

Quantum Physics · Physics 2025-02-17 Rutuja Kshirsagar , Amara Katabarwa , Peter D. Johnson

Owing to the computational complexity of electronic structure algorithms running on classical digital computers, the range of molecular systems amenable to simulation remains tightly circumscribed even after many decades of work. Quantum…

Quantum Physics · Physics 2022-05-18 Alexis Ralli , Michael I. Williams , Peter V. Coveney

Estimating a quantum phase is a necessary task in a wide range of fields of quantum science. To accomplish this task, two well-known methods have been developed in distinct contexts, namely, Ramsey interferometry (RI) in atomic and…

We present an iterative method to solve the multipartite quantum state estimation problem. We demonstrate convergence for any informationally complete set of generalized quantum measurements in every finite dimension. Our method exhibits…

Quantum Physics · Physics 2022-03-21 Daniel Uzcategui Contreras , Gabriel Senno , Dardo Goyeneche

This thesis investigates sampling-based quantum algorithms for electronic ground state energy estimation, focusing on Quantum-Selected Configuration Interaction (QSCI) and Sample-Based Quantum Diagonalization (SQD) as near-term alternatives…

Quantum Physics · Physics 2025-09-29 Abdelmouheymen Rabah Khamadja , Mohamed Taha Rouabah

In quantum theory, the inescapable interaction between a system and its surroundings would lead to a loss of coherence and leakage of information into the environment. An effective approach to retain the quantum characteristics of the…

Quantum Physics · Physics 2025-08-29 Guohui Dong , Yao Yao

We present a quantum algorithm for systems of (possibly inhomogeneous) linear ordinary differential equations with constant coefficients. The algorithm produces a quantum state that is proportional to the solution at a desired final time.…

Quantum Physics · Physics 2017-11-07 Dominic W. Berry , Andrew M. Childs , Aaron Ostrander , Guoming Wang

We show that certain computational algorithms can be simulated on a quantum computer with exponential efficiency and be insensitive to phase errors. Our explicit algorithm simulates accurately the classical chaotic dynamics for…

Quantum Physics · Physics 2007-05-23 B. Georgeot , D. L. Shepelyansky

We provide several quantum algorithms for continuous optimization that do not require gradient estimation. Instead, we encode the optimization problem into the dynamics of a physical system and coherently simulate the time evolution. We…

Quantum Physics · Physics 2026-03-18 Ahmet Burak Catli , Sophia Simon , Nathan Wiebe

As quantum devices become more complex and the requirements on these devices become more demanding, it is crucial to be able to verify the performance of such devices in a scalable and reliable fashion. A cornerstone task in this challenge…

Accurate computation of multiple eigenvalues of quantum Hamiltonians is essential in quantum chemistry, materials science, and molecular spectroscopy. Estimating excited-state energies is challenging for classical algorithms due to…

Quantum Physics · Physics 2026-05-22 Grzegorz Rajchel-Mieldzioć , Szymon Pliś , Emil Zak

The fundamental question of how to best simulate quantum systems using conventional computational resources lies at the forefront of condensed matter and quantum computation. It impacts both our understanding of quantum materials and our…

Strongly Correlated Electrons · Physics 2021-09-29 Juan Carrasquilla , Di Luo , Felipe Pérez , Ashley Milsted , Bryan K. Clark , Maksims Volkovs , Leandro Aolita

We investigate the feasibility of early fault-tolerant quantum algorithms focusing on ground-state energy estimation problems. In particular, we examine the computation of the cumulative distribution function (CDF) of the spectral measure…

Quantum parameter estimation plays a key role in many fields like quantum computation, communication and metrology. Optimal estimation allows one to achieve the most precise parameter estimates, but requires accurate knowledge of the model.…

Quantum Physics · Physics 2017-05-15 Shibdas Roy , Dominic W. Berry , Ian R. Petersen , Elanor H. Huntington

We present a hybrid quantum algorithm for estimating gaps in many-body energy spectra, supported by an analytic proof of its inherent resilience to state preparation and measurement errors, as well as mid-circuit multi-qubit depolarizing…

Quantum Physics · Physics 2025-02-14 Woo-Ram Lee , Nathan M. Myers , V. W. Scarola

We compare recently proposed methods to compute the electronic state energies of the water molecule on a quantum computer. The methods include the phase estimation algorithm based on Trotter decomposition, the phase estimation algorithm…

Quantum Physics · Physics 2019-07-24 Teng Bian , Daniel Murphy , Rongxin Xia , Ammar Daskin , Sabre Kais

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