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An accurate description of electron transport at a molecular level requires a precise treatment of quantum effects. These effects play a crucial role in determining the electron transport properties of single molecules, such as…

Quantum Physics · Physics 2020-12-18 Soran Jahangiri , Juan Miguel Arrazola , Alain Delgado

Realizing non-unitary transformations on unitary-gate based quantum devices is critically important for simulating a variety of physical problems including open quantum systems and subnormalized quantum states. We present a dilation based…

Quantum computing has brought a paradigm change in computer science, where non-classical technologies have promised to outperform their classical counterpart. Such an advantage was only demonstrated for tasks without practical applications,…

Eigenvalue transformations, which include solving time-dependent differential equations as a special case, have a wide range of applications in scientific and engineering computation. While quantum algorithms for singular value…

Quantum Physics · Physics 2024-11-07 Dong An , Andrew M. Childs , Lin Lin , Lexing Ying

We introduce the first randomized algorithms for Quantum Singular Value Transformation (QSVT), a unifying framework for many quantum algorithms. Standard implementations of QSVT rely on block encodings of the Hamiltonian, which are costly…

This article presents the first complete application of a quantum time-marching algorithm for simulating multidimensional linear transport phenomena with arbitrary boundaries, whereby the success probabilities are problem intrinsic. The…

Quantum Physics · Physics 2026-04-13 Sergio Bengoechea , Paul Over , Thomas Rung

The Quantum Singular Value Transformation (QSVT) is a technique that provides a unified framework for describing many of the quantum algorithms discovered to date. We implement a noise-free simulation of the technique to investigate how it…

Quantum Physics · Physics 2023-07-26 Alexis Ralli , Gabriel Greene-Diniz , David Muñoz Ramo , Nathan Fitzpatrick

Quantum machine learning algorithms have emerged to be a promising alternative to their classical counterparts as they leverage the power of quantum computers. Such algorithms have been developed to solve problems like electronic structure…

Chemical Physics · Physics 2021-10-29 Manas Sajjan , Shree Hari Sureshbabu , Sabre Kais

Accurately modeling quantum dissipative dynamics remains challenging due to environmental complexity and non-Markovian memory effects. Although machine learning provides a promising alternative to conventional simulation techniques, most…

Chemical Physics · Physics 2026-03-18 Muhammad Atif , Arif Ullah , Ming Yang

The complexity of biological systems, governed by molecular interactions across hierarchical scales, presents a challenge for computational modeling. While advances in multiomic profiling have enabled precise measurements of biological…

Quantum Physics · Physics 2025-06-18 Michael Kubal , Sonika Johri

We review Schmidt and Kraus decompositions in the form of singular value decomposition using operations of reshaping, vectorization and reshuffling. We use the introduced notation to analyse the correspondence between quantum states and…

Quantum Physics · Physics 2011-11-02 J. A. Miszczak

New explicit velocity- and position-Verlet-like algorithms of the second order are proposed to integrate the equations of motion in many-body systems. The algorithms are derived on the basis of an extended decomposition scheme at the…

Statistical Mechanics · Physics 2009-11-07 Igor Omelyan , Ihor Mryglod , Reinhard Folk

Recent advances in the spectroscopy of biomolecules have highlighted the possibility of quantum coherence playing an active role in biological energy transport. The revelation that quantum coherence can survive in the hot and wet…

Quantum Physics · Physics 2012-06-12 Ross Dorner , John Goold , Vlatko Vedral

The quantum singular value transformation is a powerful quantum algorithm that allows one to apply a polynomial transformation to the singular values of a matrix that is embedded as a block of a unitary transformation. This paper shows how…

Singularity in robot controls is an important problem. By identifying an appropriate trajectory for the robots, the singular situations can be avoided. In this paper an identification algorithm is proposed to control the robot such that it…

Robotics · Computer Science 2019-11-18 Hossein Sharifi , William C. Black

We transform the problem of solving linear system of equations $A\mathbf{x}=\mathbf{b}$ to a problem of finding the right singular vector with singular value zero of an augmented matrix $C$, and present two quantum algorithms for solving…

Quantum Physics · Physics 2023-01-20 Hefeng Wang , Hua Xiang

Quantum computers have the potential to simulate chemical systems beyond the capability of classical computers. Recent developments in hybrid quantum-classical approaches enable the determinations of the ground or low energy states of…

Quantum Physics · Physics 2021-12-06 Chee-Kong Lee , Jonathan Wei Zhong Lau , Liang Shi , Leong Chuan Kwek

We propose new algorithms for singular value decomposition (SVD) of very large-scale matrices based on a low-rank tensor approximation technique called the tensor train (TT) format. The proposed algorithms can compute several dominant…

Numerical Analysis · Mathematics 2016-02-11 Namgil Lee , Andrzej Cichocki

Following Ref. [Oriols X 2007 Phys. Rev. Lett., 98 066803], an algorithm to deal with the exchange interaction in non-separable quantum systems is presented. The algorithm can be applied to fermions or bosons and, by construction, it…

Quantum Physics · Physics 2014-08-05 A. Alarcón , S. Yaro , X. Cartoixà , X. Oriols

Open quantum system approaches are widely used in the description of physical, chemical and biological systems. A famous example is electronic excitation transfer in the initial stage of photosynthesis, where harvested energy is transferred…