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Transport phenomena play a key role in a variety of application domains, and efficient simulation of these dynamics remains an outstanding challenge. While quantum computers offer potential for significant speedups, existing algorithms…

Quantum Physics · Physics 2026-02-04 Joseph Li , Gengzhi Yang , Jiaqi Leng , Xiaodi Wu

We propose an efficient quantum algorithm for simulating the dynamics of general Hamiltonian systems. Our technique is based on a power series expansion of the time-evolution operator in its off-diagonal terms. The expansion decouples the…

Quantum Physics · Physics 2021-06-22 Amir Kalev , Itay Hen

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

We introduce a novel computational framework for excited-states molecular quantum dynamics simulations driven by quantum computing-based electronic-structure calculations. This framework leverages the fewest-switches surface-hopping method…

Quantum Physics · Physics 2024-02-26 Anthony Gandon , Alberto Baiardi , Pauline Ollitrault , Ivano Tavernelli

The unique capability of quantum mechanics to evolve alternative possibilities in parallel is appealing and over the years a number of quantum algorithms have been developed offering great computational benefits. Systems coupled to the…

Disordered Systems and Neural Networks · Physics 2013-11-20 Gabor Vattay , Stuart A. Kauffman

Designing quantum algorithms for simulating quantum systems has seen enormous progress, yet few studies have been done to develop quantum algorithms for open quantum dynamics despite its importance in modeling the system-environment…

Quantum Physics · Physics 2022-02-11 Zixuan Hu , Rongxin Xia , Sabre Kais

As we begin to reach the limits of classical computing, quantum computing has emerged as a technology that has captured the imagination of the scientific world. While for many years, the ability to execute quantum algorithms was only a…

Quantum Physics · Physics 2020-11-12 Bela Bauer , Sergey Bravyi , Mario Motta , Garnet Kin-Lic Chan

The accurate solution of dissipative quantum dynamics plays an important role on the simulation of open quantum systems. Here we propose a machine-learning-based universal solver for the hierarchical equations of motion, one of the most…

Chemical Physics · Physics 2026-05-19 Jiaji Zhang , Lipeng Chen

Analog quantum simulators with global control fields have emerged as powerful platforms for exploring complex quantum phenomena. Despite these advances, a fundamental theoretical question remains unresolved: to what extent can such systems…

Digital quantum simulation offers a promising route for studying quantum dynamics, but efficient operator representations and circuit depth remain key challenges for near-term hardware. We investigate one-dimensional wave packet dynamics…

Quantum computing is revolutionizing various fields, including operations research and queueing theory. This study presents a quantum method for simulating single-server Markovian (M/M/1) queues, making quantum computing more accessible to…

Quantum Physics · Physics 2024-10-14 Michal Koren , Or Peretz

A universal quantum simulator would enable efficient simulation of quantum dynamics by implementing quantum-simulation algorithms on a quantum computer. Specifically the quantum simulator would efficiently generate qubit-string states that…

Quantum Physics · Physics 2013-07-08 Barry C. Sanders

Digital quantum computers have the potential to study the dynamics of complex quantum systems. Nonequilibrium open quantum systems are, however, less straightforward to be implemented. Here we consider a collisional model representation of…

Quantum Physics · Physics 2023-10-02 Rebecca Erbanni , Xiansong Xu , Tommaso Demarie , Dario Poletti

Quantum simulator with the ability to harness the dynamics of complex quantum systems has emerged as a promising platform for probing exotic topological phases. Since the flexibility offered by various controllable quantum systems has…

Quantum Physics · Physics 2020-12-11 Bing Chen , Shuo Li , Xianfei Hou , Feifei Zhou , Peng Qian , Feng Mei , Suotang Jia , Nanyang Xu , Heng Shen

Models for open quantum systems, which play important roles in electron transport problems and quantum computing, must take into account the interaction of the quantum system with the surrounding environment. Although such models can be…

Quantum Physics · Physics 2024-07-17 Ke Wang , Xiantao Li

In a previous paper [Phys.Rev.E 83, 051911] we have shown that the results of a quantum-mechanical calculation of electronic energy transfer (EET) over aggregates of coupled monomers can be described also by a model of interacting classical…

Quantum Physics · Physics 2012-05-18 A. Eisfeld , J. S. Briggs

We propose a quantum algorithm to simulate the dynamics in quantum chemistry problems. It is based on adding fresh qubits at each Trotter step, which enables a simpler implementation of the dynamics in the extended system. After each step,…

Quantum Physics · Physics 2025-02-07 Maxine Luo , J. Ignacio Cirac

Quantum computers will allow calculations beyond existing classical computers. However, current technology is still too noisy and imperfect to construct a universal digital quantum computer with quantum error correction. Inspired by the…

Quantum Physics · Physics 2020-10-27 Ana Martin , Lucas Lamata , Enrique Solano , Mikel Sanz

Quantum key distribution (QKD) provides a physical-based way to conciliate keys between remote users securely. Simulation is an essential method for designing and optimizing QKD systems. We develop a universal simulation framework based on…

Quantum Physics · Physics 2020-11-18 Guan-Jie Fan-Yuan , Wei Chen , Feng-Yu Lu , Zhen-Qiang Yin , Shuang Wang , Guang-Can Guo , Zheng-Fu Han

Capturing the dynamics of quantum many-body systems under time-dependent driving protocols is a central challenge for numerical simulations. Existing methods such as tensor networks and time-dependent neural quantum states, however, must be…

Quantum Physics · Physics 2026-03-27 Zihao Qi , Christopher Earls , Yang Peng
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