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Mixed quantum-classical mechanics descriptions are critical to modeling coupled electron-nuclear dynamics, i.e. non-adiabatic molecular dynamics, relevant to photochemical and photophysical processes. We argue that, for polyatomic…

Chemical Physics · Physics 2018-08-21 Roman Baskov , Alexander White , Dmitry Mozyrsky

We present a quantum algorithm based on the Generalized Quantum Master Equation (GQME) approach to simulate open quantum system dynamics on noisy intermediate-scale quantum (NISQ) computers. This approach overcomes the limitations of the…

Quantum physics-informed neural networks (QPINNs) have recently emerged as a promising framework for the solution of partial differential equations (PDEs), with several studies reporting improved convergence and accuracy relative to…

Quantum Physics · Physics 2026-05-05 Wai-Hong Tam , Reza Safari , Hiromichi Matsuyama

As quantum computers become increasingly practical, so does the prospect of using quantum computation to improve upon traditional algorithms. Kernel methods in machine learning is one area where such improvements could be realized in the…

Quantum Physics · Physics 2023-05-30 Ara Ghukasyan , Jack S. Baker , Oktay Goktas , Juan Carrasquilla , Santosh Kumar Radha

Quantum SENiority-based Subspace Expansion (Q-SENSE) is a hybrid quantum-classical algorithm that interpolates between the Variational Quantum Eigensolver (VQE) and Configuration Interaction (CI) methods. It constructs Hamiltonian matrix…

Quantum Physics · Physics 2025-12-09 Smik Patel , Praveen Jayakumar , Rick Huang , Tao Zeng , Artur F. Izmaylov

Quantum Neural Networks (QNNs) are suggested as one of the quantum algorithms which can be efficiently simulated with a low depth on near-term quantum hardware in the presence of noises. However, their performance highly relies on choosing…

Quantum Physics · Physics 2024-03-14 Su Yeon Chang , Michele Grossi , Bertrand Le Saux , Sofia Vallecorsa

In this work, we aim to solve a practical use-case of unsupervised clustering which has applications in predictive maintenance in the energy operations sector using quantum computers. Using only cloud access to quantum computers, we…

Quantum Physics · Physics 2022-09-13 Stephen DiAdamo , Corey O'Meara , Giorgio Cortiana , Juan Bernabé-Moreno

Quantum kernels (QK) are widely used in quantum machine learning applications; yet, their potential to surpass classical machine learning methods on classical datasets remains uncertain. This limitation can be attributed to the exponential…

Quantum Physics · Physics 2025-07-29 Roberto Flórez-Ablan , Marco Roth , Jan Schnabel

We introduces the Quantum-Train(QT) framework, a novel approach that integrates quantum computing with classical machine learning algorithms to address significant challenges in data encoding, model compression, and inference hardware…

Quantum ground-state problems are computationally hard problems; for general many-body Hamiltonians, there is no classical or quantum algorithm known to be able to solve them efficiently. Nevertheless, if a trial wavefunction approximating…

Identification of cancer driver genes is fundamental for the development of targeted therapeutic interventions. The integration of mutational profiles with protein-protein interaction (PPI) networks offers a promising avenue for their…

Quantum Physics · Physics 2025-11-05 Patricia Marques , Andreas Wichert , Duarte Magano , Bruno Coutinho

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

The arbitrary trajectory quantization method (ATQM) is a time dependent approach to quasiclassical quantization based on the approximate dual relationship that exists between the quantum energy spectra and classical periodic orbits. It has…

Chaotic Dynamics · Physics 2009-11-07 Debabrata Biswas

Geometric Machine Learning (GML) has shown that respecting non-Euclidean geometry in data spaces can significantly improve performance over naive Euclidean assumptions. In parallel, Quantum Machine Learning (QML) has emerged as a promising…

Understanding and improving generalization capabilities is crucial for both classical and quantum machine learning (QML). Recent studies have revealed shortcomings in current generalization theories, particularly those relying on uniform…

Quantum Physics · Physics 2025-12-22 Tak Hur , Daniel K. Park

Quantum computing algorithms have been shown to produce performant quantum kernels for machine-learning classification problems. Here, we examine the performance of quantum kernels for regression problems of practical interest. For an…

Quantum Physics · Physics 2024-09-30 Xuyang Guo , Jun Dai , Roman V. Krems

When deriving a master equation for a multipartite weakly-interacting open quantum systems, dissipation is often addressed \textit{locally} on each component, i.e. ignoring the coherent couplings, which are later added `by hand'. Although…

A method for stochastic unraveling of general time-local quantum master equations (QMEs) is proposed. The present kind of jump algorithm allows a numerically efficient treatment of QMEs which are not in Lindblad form, i.e. are not positive…

Chemical Physics · Physics 2007-05-23 Ivan Kondov , Ulrich Kleinekathoefer , Michael Schreiber

Kernel methods map data into high-dimensional spaces, enabling linear algorithms to learn nonlinear functions without explicitly storing the feature vectors. Quantum kernel methods promise efficient learning by encoding feature maps into…

Quantum Physics · Physics 2025-04-17 Vivek Sabarad , Vishal Varma , T. S. Mahesh

Near-term quantum computers will be limited in the number of qubits on which they can process information as well as the depth of the circuits that they can coherently carry out. To-date, experimental demonstrations of algorithms such as…

Chemical Physics · Physics 2023-10-18 Joel Bierman , Yingzhou Li , Jianfeng Lu