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Large-scale classical simulation of quantum computers is crucial for benchmarking quantum algorithms, establishing boundaries of quantum advantage and exploring heuristic quantum algorithms. We present a full-state vector simulation…

We present a method for classically simulating quantum circuits based on the tensor contraction model of Markov and Shi (quant-ph/0511069). Using this method we are able to classically simulate the approximate quantum Fourier transform in…

Quantum Physics · Physics 2009-11-13 Nadav Yoran , Anthony J. Short

Tensor network theory and quantum simulation are respectively the key classical and quantum computing methods in understanding quantum many-body physics. Here, we introduce the framework of hybrid tensor networks with building blocks…

Quantum Physics · Physics 2021-09-02 Xiao Yuan , Jinzhao Sun , Junyu Liu , Qi Zhao , You Zhou

Motivated by far-reaching applications ranging from quantum simulations of complex processes in physics and chemistry to quantum information processing, a broad effort is currently underway to build large-scale programmable quantum systems.…

In this work we propose a series-expansion thermal tensor network (SETTN) approach for efficient simulations of quantum lattice models. This continuous-time SETTN method is based on the numerically exact Taylor series expansion of…

Strongly Correlated Electrons · Physics 2017-04-12 Bin-Bin Chen , Yun-Jing Liu , Ziyu Chen , Wei Li

Quantum computing shows promise for addressing computationally intensive problems but is constrained by the exponential resource requirements of general quantum state tomography (QST), which fully characterizes quantum states through…

Quantum Physics · Physics 2025-09-12 Hao Su , Shiying Xiong , Yue Yang

We present the implementation and application of a multiphysics simulation technique to carrier dynamics under electromagnetic excitation in supported two-dimensional electronic systems. The technique combines ensemble Monte Carlo (EMC) for…

Mesoscale and Nanoscale Physics · Physics 2014-05-21 N. Sule , K. J. Willis , S. C. Hagness , I. Knezevic

Tensor networks have been successfully applied in simulation of quantum physical systems for decades. Recently, they have also been employed in classical simulation of quantum computing, in particular, random quantum circuits. This paper…

Quantum Physics · Physics 2025-07-08 Xin Hong , Xiangzhen Zhou , Sanjiang Li , Yuan Feng , Mingsheng Ying

Quantum dynamics compilation is an important task for improving quantum simulation efficiency: It aims to synthesize multi-qubit target dynamics into a circuit consisting of as few elementary gates as possible. Compared to deterministic…

Quantum Physics · Physics 2024-09-26 Yuxuan Zhang , Roeland Wiersema , Juan Carrasquilla , Lukasz Cincio , Yong Baek Kim

We present an efficient tensor-network-based approach for simulating large-scale quantum circuits, demonstrated using Quantum Support Vector Machines (QSVMs). Our method effectively reduces exponential runtime growth to near-quadratic…

We introduce a numerical tensor-network method to compute the statistics of the charge transferred across an interface partitioning an interacting one-dimensional many-body lattice system with $U(1)$ symmetry. Our approach is based on a…

Quantum Physics · Physics 2026-04-01 Hari Kumar Yadalam , Mark T. Mitchison

Modeling of turbulent combustion system requires modeling the underlying chemistry and the turbulent flow. Solving both systems simultaneously is computationally prohibitive. Instead, given the difference in scales at which the two…

Machine Learning · Computer Science 2022-02-22 Amol Salunkhe , Dwyer Deighan , Paul DesJardin , Varun Chandola

Simulating the molecular dynamics (MD) using classical or semi-classical trajectories provides important details for the understanding of many chemical reactions, protein folding, drug design, and solvation effects. MD simulations using…

Mathematical Physics · Physics 2011-11-16 Siyang Yang

Quantum phase transitions have been shown to be highly beneficial for quantum sensing, owing to diverging quantum Fisher information close to criticality. In this work we consider a periodically modulated Lipkin-Meshkov-Glick model to show…

Quantum Physics · Physics 2026-05-19 Rahul Ghosh , Bandita Das , Victor Mukherjee

We introduce a novel tensor network structure augmenting the well-established Tree Tensor Network representation of a quantum many-body wave function. The new structure satisfies the area law in high dimensions remaining efficiently…

Quantum Physics · Physics 2021-05-05 Timo Felser , Simone Notarnicola , Simone Montangero

We develop new approximation algorithms and data structures for representing and computing with multivariate functions using the functional tensor-train (FT), a continuous extension of the tensor-train (TT) decomposition. The FT represents…

Numerical Analysis · Mathematics 2018-12-13 Alex A. Gorodetsky , Sertac Karaman , Youssef M. Marzouk

First-principles molecular dynamics (FPMD) simulations were applied for the paraelectric-ferroelectric phase transition in the perovskite-type cadmium titanate, CdTiO3. Since the phase transition is reported to occur at the low temperature…

Materials Science · Physics 2024-11-20 Kansei Kanayama , Kazuaki Toyoura

Quantum computing has emerged as a promising platform for simulating strongly correlated systems in chemistry, for which the standard quantum chemistry methods are either qualitatively inaccurate or too expensive. However, due to the…

Chemical Physics · Physics 2024-05-06 Max Rossmannek , Fabijan Pavošević , Angel Rubio , Ivano Tavernelli

Two-dimensional (2D) materials exhibit a wide range of electronic properties that make them promising candidates for next-generation nanoelectronic devices. Accurate prediction of their quantum transport behavior is therefore of both…

Materials Science · Physics 2025-12-22 Jijie Zou , Zhanghao Zhouyin , Qiangqiang Gu , Shishir Kumar Pandey

In quantum information theory, there is an explicit mapping between general unitary dynamics and Hermitian ground state eigenvalue problems known as the Feynman-Kitaev Clock. A prominent family of methods for the study of quantum ground…

Quantum Physics · Physics 2015-01-14 Jarrod R. McClean , Alán Aspuru-Guzik