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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…
The factorized form of the unitary coupled-cluster approximation is one of the most promising methodologies to prepare trial states for strongly correlated systems within the variational quantum eigensolver framework. The factorized form of…
Quantum algorithms for electronic-structure simulations are actively being developed, yet many hybrid quantum-classical approaches are bottlenecked by the measurement overhead associated with large molecular Hamiltonians. Here we introduce…
Vibronic interactions between nuclear motion and electronic states are critical for the accurate modeling of photochemistry. However, accurate simulations of fully quantum non-adiabatic dynamics are often prohibitively expensive for…
We describe an array of quantum gates implementing Shor's algorithm for prime factorization in a quantum computer. The array includes a circuit for modular exponentiation with several subcomponents (such as controlled multipliers, adders,…
We present an efficient quantum circuit for block encoding pairing Hamiltonian often studied in nuclear physics. Our block encoding scheme does not require mapping the creation and annihilation operators to the Pauli operators and…
We show how to efficiently simulate continuous-time quantum query algorithms that run in time T in a manner that preserves the query complexity (within a polylogarithmic factor) while also incurring a small overhead cost in the total number…
We propose a computational protocol for quantum simulations of Fermionic Hamiltonians on a quantum computer, enabling calculations which were previously not feasible with conventional encoding and ansatses of variational quantum…
We demonstrate a method that merges the quantum filter diagonalization (QFD) approach for hybrid quantum/classical solution of the time-independent electronic Schr\"odinger equation with a low-rank double factorization (DF) approach for the…
Quantum computers are the ideal platform for quantum simulations. Given enough coherent operations and qubits, such machines can be leveraged to simulate strongly correlated materials, where intricate quantum effects give rise to…
Digital quantum simulation of electron-phonon systems requires truncating infinite phonon levels into $N$ basis states and then encoding them with qubit computational basis. Unary encoding and the more compact binary/Gray encoding are the…
In this study we present an optimization method based on the quantum Monte Carlo diagonalization for many-fermion systems. Using the Hubbard-Stratonovich transformation, employed to decompose the interactions in terms of auxiliary fields,…
Tensor factorization arises in many machine learning applications, such knowledge base modeling and parameter estimation in latent variable models. However, numerical methods for tensor factorization have not reached the level of maturity…
Hamiltonian simulation, i.e., simulating the real time evolution of a target quantum system, is a natural application of quantum computing. Trotter-Suzuki splitting methods can generate corresponding quantum circuits; however, a faithful…
In recent times, Variational Quantum Circuits (VQC) have been widely adopted to different tasks in machine learning such as Combinatorial Optimization and Supervised Learning. With the growing interest, it is pertinent to study the…
To simulate the real- and imaginary-time evolution of a many-electron system on a quantum computer based on the first-quantized formalism, we need to encode molecular orbitals (MOs) into qubit states for typical initial-state preparation.…
Integer factorization has been one of the cornerstone applications of the field of quantum computing since the discovery of an efficient algorithm for factoring by Peter Shor. Unfortunately, factoring via Shor's algorithm is well beyond the…
Quantum algorithms are promising candidates for the enhancement of computational efficiency for a variety of computational tasks, allowing for the numerical study of physical systems intractable to classical computers. In the Noisy…
Reducing the number of non-Clifford quantum gates present in a circuit is an important task for efficiently implementing quantum computations, especially in the fault-tolerant regime. We present a new method for reducing the number of…
Semiconductor quantum dots offer a promising platform for controlling spin qubits and realizing quantum logic gates, essential for scalable quantum computing. In this work, we utilize a variational quantum compiling algorithm to design…