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In this work we investigate methods to improve the efficiency and scalability of quantum algorithms for quantum chemistry applications. We propose a transformation of the electronic structure Hamiltonian in the second quantization framework…

We explore a non-variational quantum state preparation approach combined with the ADAPT operator selection strategy in the application of preparing the ground state of a desired target Hamiltonian. In this algorithm, energy gradient…

Quantum computing, leveraging quantum phenomena like superposition and entanglement, is emerging as a transformative force in computing technology, promising unparalleled computational speed and efficiency crucial for engineering…

Quantum Physics · Physics 2024-08-30 Osama Muhammad Raisuddin , Suvranu De

Estimating the ground-state energy of Hamiltonians is a fundamental task for which it is believed that quantum computers can be helpful. Several approaches have been proposed toward this goal, including algorithms based on quantum phase…

Quantum Physics · Physics 2025-11-26 Dhrumil Patel , Daniel Koch , Saahil Patel , Mark M. Wilde

Quantum state preparation is a crucial process within numerous quantum algorithms, and the need for efficient initialization of quantum registers is ever increasing as demand for useful quantum computing grows. The problem arises as the…

Quantum Physics · Physics 2024-09-11 Andrew Wright , Marco Lewis , Paolo Zuliani , Sadegh Soudjani

Protein characterization is one of the key components for understanding the human body and advancing drug discovery processes. While the future of quantum hardware holds the potential to accurately characterize these molecules, current…

Quantum Physics · Physics 2025-05-05 Laia Coronas Sala , Parfait Atchade-Adelemou

The finite element method is used to approximately solve boundary value problems for differential equations. The method discretises the parameter space and finds an approximate solution by solving a large system of linear equations. Here we…

Quantum Physics · Physics 2016-03-23 Ashley Montanaro , Sam Pallister

Demonstrating quantum advantage has been a pressing challenge in the field. Most claimed quantum speedups rely on a subroutine in which classical information can be accessed in a coherent quantum manner, which imposes a crucial constraint…

Quantum Physics · Physics 2025-11-04 Nhat A. Nghiem

Estimating observable expectation values in eigenstates of quantum systems has a broad range of applications and is an area where early fault-tolerant quantum computers may provide practical quantum advantage. We develop a hybrid…

Quantum Physics · Physics 2026-03-03 Bence Bakó , Tenzan Araki , Bálint Koczor

The well-known algorithm for quantum phase estimation requires that the considered unitary is available as a conditional transformation depending on the quantum state of an ancilla register. We present an algorithm converting an unknown…

Quantum Physics · Physics 2007-05-23 Dominik Janzing

An important step in building a quantum computer is calibrating experimentally implemented quantum gates to produce operations that are close to ideal unitaries. The calibration step involves estimating the systematic errors in gates and…

Quantum Physics · Physics 2021-10-22 Shelby Kimmel , Guang Hao Low , Theodore J. Yoder

Quantum computing allows for the manipulation of highly correlated states whose properties quickly go beyond the capacity of any classical method to calculate. Thus one natural problem which could lend itself to quantum advantage is the…

Quantum Physics · Physics 2024-12-19 Kevin Lively , Tim Bode , Jochen Szangolies , Jian-Xin Zhu , Benedikt Fauseweh

The ground state properties of quantum many-body systems are a subject of interest across chemistry, materials science, and physics. Thus, algorithms for finding ground states can have broad impacts. Variational quantum algorithms are one…

Quantum Physics · Physics 2023-09-28 James B. Larsen , Matthew D. Grace , Andrew D. Baczewski , Alicia B. Magann

Emergent quantum computing technologies are widely expected to provide novel approaches in the simulation of quantum chemistry. Despite rapid improvements in the scale and fidelity of quantum computers, high resource requirements make the…

Quantum Physics · Physics 2025-06-23 Andrew Tranter , Duncan Gowland , Kentaro Yamamoto , Michelle Sze , David Muñoz Ramo

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

Recent experimental breakthroughs have signalled the imminent arrival of the early fault-tolerant era. However, for a considerable period in the foreseeable future, relying solely on quantum error correction for full error suppression will…

Quantum Physics · Physics 2025-02-18 Kecheng Liu , Zhenyu Cai

Efficient quantum circuit optimization schemes are central to quantum simulation of strongly interacting quantum many body systems. Here, we present an optimization algorithm which combines machine learning techniques and tensor network…

Quantum Physics · Physics 2024-08-23 David Rogerson , Ananda Roy

The determination of ground state properties of quantum systems is a fundamental problem in physics and chemistry, and is considered a key application of quantum computers. A common approach is to prepare a trial ground state on the quantum…

Quantum Physics · Physics 2023-12-13 Harish J. Vallury , Lloyd C. L. Hollenberg

Quantum machine learning offers promising advantages for classification tasks, but noise, decoherence, and connectivity constraints in current devices continue to limit the efficient execution of feature map-based circuits. Gate Assessment…

Machine Learning · Computer Science 2026-03-23 F. Rodríguez-Díaz , D. Gutiérrez-Avilés , A. Troncoso , F. Martínez-Álvarez

As far as we know, a useful quantum computer will require fault-tolerant gates, and existing schemes demand a prohibitively large space and time overhead. We argue that a first generation quantum computer will be very valuable to design,…

Quantum Physics · Physics 2017-11-15 Pavithran S. Iyer , David Poulin