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Quantum computation of vibrational properties of molecules is a promising platform to obtain computational advantages for computational chemistry. However, fault-tolerant quantum computations of vibrational properties remain a relatively…

Quantum compiling, a process that decomposes the quantum algorithm into a series of hardware-compatible commands or elementary gates, is of fundamental importance for quantum computing. We introduce an efficient algorithm based on deep…

Quantum Physics · Physics 2020-10-22 Yuan-Hang Zhang , Pei-Lin Zheng , Yi Zhang , Dong-Ling Deng

The Fermionic Neural Network (FermiNet) is a recently-developed neural network architecture that can be used as a wavefunction Ansatz for many-electron systems, and has already demonstrated high accuracy on small systems. Here we present…

Computational Physics · Physics 2020-11-17 James S. Spencer , David Pfau , Aleksandar Botev , W. M. C. Foulkes

We present a novel input scheme for general second-quantized Hamiltonians of relativistic or non-relativistic many-fermion systems. This input scheme incorporates the fermionic anticommutation relations, particle number variations, and…

Quantum Physics · Physics 2025-05-16 Weijie Du , James P. Vary

Block-encodings of matrices have become an essential element of quantum algorithms derived from the quantum singular value transformation. This includes a variety of algorithms ranging from the quantum linear systems problem to quantum…

Quantum Physics · Physics 2023-06-13 Daan Camps , Roel Van Beeumen

We introduce novel algorithms for the quantum simulation of molecular systems which are asymptotically more efficient than those based on the Trotter-Suzuki decomposition. We present the first application of a recently developed technique…

Simulating quantum systems is one of the most important potential applications of quantum computers. The high-level circuit defining the simulation needs to be compiled into one that complies with hardware limitations such as qubit…

Quantum Physics · Physics 2021-11-09 Lingling Lao , Dan E. Browne

Quantum noise in real-world devices poses a significant challenge in achieving practical quantum advantage, since accurately compiled and executed circuits are typically deep and highly susceptible to decoherence. To facilitate the…

Quantum Physics · Physics 2025-06-13 Yuchen Guo , Shuo Yang

Many promising quantum applications depend on the efficient quantum simulation of an exponentially large sparse Hamiltonian, a task known as sparse Hamiltonian simulation, which is fundamentally important in quantum computation. Although…

Quantum Physics · Physics 2025-09-16 Jiaqi Leng , Joseph Li , Yuxiang Peng , Xiaodi Wu

This article proposes a formalism which unifies Hamiltonian simulation techniques from different fields. This formalism leads to a competitive method to construct the Hamiltonian simulation with a comprehensible, simple-to-implement circuit…

Quantum Physics · Physics 2025-01-22 Robin Ollive , Stephane Louise

Quadratic programming over orthogonal matrices encompasses a broad class of hard optimization problems that do not have an efficient quantum representation. Such problems are instances of the little noncommutative Grothendieck problem…

Quantum Physics · Physics 2024-08-28 Andrew Zhao , Nicholas C. Rubin

The simulation of quantum many-body systems, relevant for quantum chemistry and condensed matter physics, is one of the most promising applications of near-term quantum computers before fault-tolerance. However, since the vast majority of…

Quantum Physics · Physics 2025-10-20 Arash Jafarizadeh , Frank Pollmann , Adam Gammon-Smith

We propose a procedure for the robust preparation of maximally entangled states of identical fermionic qubits, studying the role played by particle statistics in the process. The protocol exploits externally activated noisy channels to…

Quantum Physics · Physics 2023-07-25 Matteo Piccolini , Vittorio Giovannetti , Rosario Lo Franco

Assemblies of strongly interacting fermions, whether in a condensed-matter or a quantum chemistry context, range amongst the most promising candidate systems for which quantum computing platforms could provide an advantage. Near-term…

Quantum Physics · Physics 2024-06-21 Pauline Besserve , Michel Ferrero , Thomas Ayral

Quantum compilation is the problem of translating an input quantum circuit into the most efficient equivalent of itself, taking into account the characteristics of the device that will execute the computation. Compilation strategies are…

Quantum Physics · Physics 2022-05-24 Davide Ferrari , Michele Amoretti

The operator algebra of fermionic modes is isomorphic to that of qubits, the difference between them is twofold: the embedding of subalgebras corresponding to mode subsets and multiqubit subsystems on the one hand, and the parity…

Quantum computing is being extensively used in quantum chemistry, especially in simulating simple molecules and evaluating properties like the ground state energy, dipole moment, etc. The transformation of a molecular Hamiltonian from the…

Quantum Physics · Physics 2024-01-18 Harshdeep Singh , Sabyashachi Mishra , Sonjoy Majumder

To simulate a fermionic system on a quantum computer, it is necessary to encode the state of the fermions onto qubits. Fermion-to-qubit mappings such as the Jordan-Wigner and Bravyi-Kitaev transformations do this using $N$ qubits to…

Quantum Physics · Physics 2023-08-17 Brent Harrison , Dylan Nelson , Daniel Adamiak , James Whitfield

We construct quantum circuits which exactly encode the spectra of correlated electron models up to errors from rotation synthesis. By invoking these circuits as oracles within the recently introduced "qubitization" framework, one can use…

Quantum approximate optimization algorithm (QAOA) has attracted much attention as an algorithm that has the potential to efficiently solve combinatorial optimization problems. Among them, a fermionic QAOA (FQAOA) for solving constrained…

Quantum Physics · Physics 2023-12-11 Takuya Yoshioka , Keita Sasada , Yuichiro Nakano , Keisuke Fujii
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