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Quantum-selected configuration interaction (QSCI) is a novel quantum-classical hybrid algorithm for quantum chemistry calculations. This method identifies electron configurations having large weights for the target state using quantum…

Chemical Physics · Physics 2025-03-31 Soichi Shirai , Shih-Yen Tseng , Hokuto Iwakiri , Takahiro Horiba , Hirotoshi Hirai , Sho Koh

Simulating the dynamics of electrons and other fermionic particles in quantum chemistry, materials science, and high-energy physics is one of the most promising applications of fault-tolerant quantum computers. However, the overhead in…

Full-state quantum circuit simulation requires exponentially increased memory size to store the state vector as the number of qubits scales, presenting significant limitations in classical computing systems. Our paper introduces BMQSim, a…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-10-21 Boyuan Zhang , Bo Fang , Fanjiang Ye , Yida Gu , Nathan Tallent , Guangming Tan , Dingwen Tao

Noisy intermediate-scale quantum (NISQ) computers could solve quantum-mechanical simulation problems that are beyond the capabilities of classical computers. However, NISQ devices experience significant errors which, if not corrected, can…

Quantum Physics · Physics 2021-02-04 Ashley Montanaro , Stasja Stanisic

Quantum information processing tasks require exotic quantum states as a prerequisite. They are usually prepared with many different methods tailored to the specific resource state. Here we provide a versatile unified state preparation…

Quantum Physics · Physics 2021-01-18 Tanjung Krisnanda , Sanjib Ghosh , Tomasz Paterek , Timothy C. H. Liew

Number-conserved subspace encoding reduces resources needed for quantum simulations, but scalable complexity trade-off bounds for $M$ modes and $N$ particles with $\mathcal{O}(N\log M)$ qubits have remained unknown. We study…

Quantum Physics · Physics 2025-09-23 M. H. Cheng , Yu-Cheng Chen , Qian Wang , V. Bartsch , M. S. Kim , Alice Hu , Min-Hsiu Hsieh

Advanced Driver Assistance Systems (ADAS) increasingly employ Federated Learning (FL) to collaboratively train models across distributed vehicular nodes while preserving data privacy. Yet, conventional FL aggregation remains susceptible to…

Machine Learning · Computer Science 2025-12-16 Chethana Prasad Kabgere , Sudarshan T S B

Finding the ground-state energy of molecules is an important and challenging computational problem for which quantum computing can potentially find efficient solutions. The variational quantum eigensolver (VQE) is a quantum algorithm that…

Quantum Physics · Physics 2023-02-15 Daniel Yoffe , Amir Natan , Adi Makmal

Quantum noise fundamentally limits the utility of near-term quantum devices, making error mitigation essential for practical quantum computation. While traditional quantum error correction codes require substantial qubit overhead and…

Quantum Physics · Physics 2025-09-23 Karan Kendre

We compute the ground-state properties of fully polarized, trapped, one-dimensional fermionic systems interacting through a gaussian potential. We use an antisymmetric artificial neural network, or neural quantum state, as an ansatz for the…

Nuclear Theory · Physics 2024-02-09 J. W. T. Keeble , M. Drissi , A. Rojo-Francàs , B. Juliá-Díaz , A. Rios

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

Simulating the properties of many-body fermionic systems is an outstanding computational challenge relevant to material science, quantum chemistry, and particle physics. Although qubit-based quantum computers can potentially tackle this…

By combining Hartree-Fock with a neural-network-supported quantum-cluster solver proposed recently in the context of solid-state lattice models, we formulate a scheme for selective neural-network configuration interaction (NNCI)…

Organizations and enterprises across domains such as healthcare, finance, and scientific research are increasingly required to extract collective intelligence from distributed, siloed datasets while adhering to strict privacy, regulatory,…

Machine Learning · Computer Science 2026-01-16 Samar Abdelghani , Soumaya Cherkaoui

Quantum-selected configuration interaction (QSCI) is an approach for quantum chemical calculations using current quantum computers. In conventional QSCI, Slater determinants used for the wave function expansion are sampled by iteratively…

Quantum Physics · Physics 2025-10-03 Kenji Sugisaki , Shu Kanno , Toshinari Itoko , Rei Sakuma , Naoki Yamamoto

Many quantum algorithms, including recently proposed hybrid classical/quantum algorithms, make use of restricted tomography of the quantum state that measures the reduced density matrices, or marginals, of the full state. The most…

Quantum Physics · Physics 2018-05-16 Nicholas C. Rubin , Ryan Babbush , Jarrod McClean

Quantum-selected configuration interaction (QSCI) is a promising hybrid quantum-classical approach in which a quantum device generates configurations for subsequent classical diagonalization. Here, we analyze the performance of QSCI…

Efficient encoding of electronic operators into qubits is essential for quantum chemistry simulations. The majority of methods map single electron states to qubits, effectively handling electron interactions. Alternatively, pairs of…

Quantum Physics · Physics 2025-09-09 Francisco Javier Del Arco Santos , Jakob S. Kottmann

Fermions, as a major class of quantum particles, provide platforms for quantum information processing beyond the possibilities of spins or bosons which have been studied more extensively. One particularly interesting model to study, in view…

Quantum Physics · Physics 2015-06-05 Yu-Ju Chiu , Xie Chen , Isaac L. Chuang

Numerically simulating spinful, fermionic systems is of great interest from the perspective of condensed matter physics. However, the exponential growth of the Hilbert space dimension with system size renders an exact parameterization of…

Strongly Correlated Electrons · Physics 2025-09-10 Hannah Lange , Fabian Döschl , Juan Carrasquilla , Annabelle Bohrdt