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Density-functional theory (DFT) has revolutionized computer simulations in chemistry and material science. A faithful implementation of the theory requires self-consistent calculations. However, this effort involves repeatedly diagonalizing…

Quantum Physics · Physics 2023-07-17 Taehee Ko , Xiantao Li , Chunhao Wang

Identifying where quantum models may offer practical benefits in near term quantum machine learning (QML) requires moving beyond isolated algorithmic proposals toward systematic and empirical exploration across models, datasets, and…

Quantum machine learning (QML) holds promise for computational advantage, yet progress on real-world tasks is hindered by classical preprocessing and noisy devices. We introduce ViT-QCNN-FT, a hybrid framework that integrates a fine-tuned…

Quantum Physics · Physics 2025-10-15 Mingzhu Wang , Yun Shang

Hamiltonian simulation is a central application of quantum computing, with significant potential in modeling physical systems and solving complex optimization problems. Existing compilers for such simulations typically focus on low-level…

Programming Languages · Computer Science 2025-09-29 Liyi Li , Fenfen An , Federico Zahariev , Zhi Xiang Chong , Amr Sabry , Mark S. Gordon

We present KITE, a general purpose open-source tight-binding software for accurate real-space simulations of electronic structure and quantum transport properties of large-scale molecular and condensed systems with tens of billions of…

Mesoscale and Nanoscale Physics · Physics 2020-03-16 Simão M. João , Miša Anđelković , Lucian Covaci , Tatiana Rappoport , João M. V. P. Lopes , Aires Ferreira

Quantum Computing offers a new paradigm for efficient computing and many AI applications could benefit from its potential boost in performance. However, the main limitation is the constraint to linear operations that hampers the…

Quantum Physics · Physics 2023-03-10 Antonio Macaluso , Luca Clissa , Stefano Lodi , Claudio Sartori

A viable approach for building large-scale quantum computers is to interlink small-scale quantum computers with a quantum network to create a larger distributed quantum computer. When designing quantum algorithms for such a distributed…

Quantum Physics · Physics 2022-04-08 Rhea Parekh , Andrea Ricciardi , Ahmed Darwish , Stephen DiAdamo

Post-training quantization (PTQ) reduces the memory footprint of LLMs by quantizing weights to low-precision datatypes. Since LLM inference is usually memory-bound, PTQ methods can improve inference throughput. Recent state-of-the-art PTQ…

Machine Learning · Computer Science 2025-06-19 Albert Tseng , Qingyao Sun , David Hou , Christopher De Sa

QASMTrans is a lightweight, high-performance, C++-based quantum compiler that bridges abstract quantum algorithms to device-level control and is designed for just-in-time (JIT) deployment on QPU testbeds with tightly integrated FPGAs or…

Computational chemistry is an essential tool in the pharmaceutical industry. Quantum computing is a fast evolving technology that promises to completely shift the computational capabilities in many areas of chemical research by bringing…

The advent of fault-tolerant quantum computers marks a significant milestone, yet the development of practical quantum algorithms remains a critical challenge. Effective quantum algorithms are essential for leveraging the power of quantum…

Quantum Physics · Physics 2024-10-21 Ning Bao , Gun Suer

The quantum kernel method has attracted considerable attention in the field of quantum machine learning. However, exploring the applicability of quantum kernels in more realistic settings has been hindered by the number of physical qubits…

Quantum Physics · Physics 2023-09-12 Teppei Suzuki , Tsubasa Miyazaki , Toshiki Inaritai , Takahiro Otsuka

NP-hard optimization problems scale very rapidly with problem size, becoming unsolvable with brute force methods, even with supercomputing resources. Typically, such problems have been approximated with heuristics. However, these methods…

Quantum Physics · Physics 2018-03-21 Gideon Bass , Casey Tomlin , Vaibhaw Kumar , Pete Rihaczek , Joseph Dulny

Computational Fluid Dynamics simulations are crucial in industrial applications but require extensive computational resources, particularly for extreme turbulent regimes. While classical digital approaches remain the standard, quantum…

Quantum Physics · Physics 2025-04-18 Francesco Turro , Alessandra Lignarolo , Daniele Dragoni

The past decade has witnessed significant advancements in quantum hardware, encompassing improvements in speed, qubit quantity, and quantum volume-a metric defining the maximum size of a quantum circuit effectively implementable on…

Quantum Physics · Physics 2024-06-11 Yaswitha Gujju , Atsushi Matsuo , Rudy Raymond

We propose a public-key quantum money scheme based on group actions and the Hartley transform. Our scheme adapts the quantum money scheme of Zhandry (2024), replacing the Fourier transform with the Hartley transform. This substitution…

Quantum Physics · Physics 2026-03-16 Jake Doliskani , Morteza Mirzaei , Ali Mousavi

Quantum mechanics requires the operation of quantum computers to be unitary, and thus makes it important to have general techniques for developing fast quantum algorithms for computing unitary transforms. A quantum routine for computing a…

Quantum Physics · Physics 2007-05-23 Peter Hoyer

This work endeavors to juxtapose the efficacy of machine learning algorithms within classical and quantum computational paradigms. Particularly, by emphasizing on Support Vector Machines (SVM), we scrutinize the classification prowess of…

Machine Learning · Computer Science 2023-10-18 Davut Emre Tasar , Kutan Koruyan , Ceren Ocal Tasar

Rapid progress in noisy intermediate-scale quantum (NISQ) computing technology has led to the development of novel resource-efficient hybrid quantum-classical algorithms, such as the variational quantum eigensolver (VQE), that can address…

Strongly Correlated Electrons · Physics 2021-03-01 Yongxin Yao , Feng Zhang , Cai-Zhuang Wang , Kai-Ming Ho , Peter P. Orth

Equivalence checking of hybrid quantum circuits is of primary importance, given that quantum circuit transformations are omnipresent along the quantum compiler chain. While some approaches exist for automating this task, most focus on the…

Quantum Physics · Physics 2025-12-01 Jérome Ricciardi , Sébastien Bardin , Christophe Chareton , Benoît Valiron
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