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Open quantum systems that feature non-Markovian dynamics are routinely solved using techniques such as the Hierarchical Equations of Motion (HEOM). However, their usage of the entire system density-matrix renders them intractable for…

Quantum Physics · Physics 2025-06-30 Kai Müller , Kimmo Luoma , Christian Schäfer

For a system strongly coupled to a heat bath, the quantum coherence of the system and the heat bath plays an important role in the system dynamics. This is particularly true in the case of non-Markovian noise. We rigorously investigate the…

Statistical Mechanics · Physics 2015-02-16 Yoshitaka Tanimura

Studies of quantum thermal effects on molecular excitation dynamics have often relied on oversimplified models, such as energy eigenstates or low-dimensional potentials, which fail to capture the complexity of real chemical systems. In…

Chemical Physics · Physics 2025-12-30 Yankai Zhang , Yoshitaka Tanimura , So Hirata

The hierarchical equations of motion technique has found widespread success as a tool to generate the numerically exact dynamics of non-Markovian open quantum systems. However, its application to low temperature environments remains a…

Chemical Physics · Physics 2013-10-15 Jeremy M. Moix , Jianshu Cao

The theory of hierarchical equations of motion (HEOM) is one of the standard methods to give exact evaluations of the dynamics as coupled to harmonic oscillator environments. However, the theory is numerically demanding due to its…

Chemical Physics · Physics 2022-05-31 Tatsushi Ikeda , Akira Nakayama

Many-body open quantum systems (OQS) have a profound impact on various subdisciplines of physics, chemistry, and biology. Thus, the development of a computer program capable of accurately, efficiently, and versatilely simulating many-body…

Strongly Correlated Electrons · Physics 2024-11-18 Daochi Zhang , Lyuzhou Ye , Jiaan Cao , Yao Wang , Rui-Xue Xu , Xiao Zheng , YiJing Yan

The hierarchical equations of motion (HEOM) approach is an accurate method to simulate open system quantum dynamics, which allows for systematic convergence to numerically exact results. To represent the effects of the bath, the reservoir…

Strongly Correlated Electrons · Physics 2023-05-31 Xiaohan Dan , Meng Xu , J. T. Stockburger , J. Ankerhold , Qiang Shi

This Perspective presents a comprehensive account of the dissipaton theories developed in our group since 2014, including the physical picture of dissipatons and the phase-space dissipaton algebra. The dissipaton-equation-of-motion-space…

Quantum Physics · Physics 2022-11-17 Yao Wang , YiJing Yan

The time evolution in open quantum systems, such as a molecular aggregate in contact with a thermal bath, still poses a complex and challenging problem. The influence of the thermal noise can be treated using a plethora of schemes, several…

Chemical Physics · Physics 2019-07-24 Hasan Rahman , Ulrich Kleinekathoefer

We investigate the quantum dynamics of Coulomb potential systems in thermal baths. We study these systems within the framework of open quantum dynamics theory, focusing on preserving the rotational symmetry of the entire system, including…

Quantum Physics · Physics 2026-03-18 Yankai Zhang , Yoshitaka Tanimura

This work presents a unified dissipaton-equation-of-motion (DEOM) theory and its evaluations on the Helmholtz free energy change due to the isotherm mixing of two isolated subsystems. One is a local impurity and another is a nonlocal…

Statistical Mechanics · Physics 2021-11-19 Hong Gong , Yao Wang , Hou-Dao Zhang , Qin Qiao , Rui-Xue Xu , Xiao Zheng , YiJing Yan

A model of a bulk water system describing the vibrational motion of intramolecular and intermolecular modes is constructed, enabling analysis of its linear and nonlinear vibrational spectra, as well as the energy transfer processes between…

Computational Physics · Physics 2023-02-21 Hideaki Takahashi , Yoshitaka Tanimura

Optimal control theory is implemented with fully converged hierarchical equations of motion (HEOM) describing the time evolution of an open system density matrix strongly coupled to the bath in a spin-boson model. The populations of the…

In this paper, we present a comprehensive account of quantum dissipation theories with the quadratic environment couplings. The theoretical development includes the Brownian solvation mode embedded hierarchical quantum master equations, a…

Quantum Physics · Physics 2023-02-07 Zi-Hao Chen , Yao Wang , Rui-Xue Xu , YiJing Yan

Determining the properties of molecules and materials is one of the premier applications of quantum computing. A major question in the field is how to use imperfect near-term quantum computers to solve problems of practical value. Inspired…

High-dimensional broadband quantum memory significantly expands quantum information processing capabilities, but the memory efficiency becomes insufficient when extended to high dimensions. We demonstrate an efficient quantum memory for…

Quantum Physics · Physics 2025-09-03 Zeliang Wu , Jinxian Guo , Zhifei Yu , Wenfeng Huang , Chun-Hua Yuan , Weiping Zhang , L. Q. Chen

A hierarchical equations of motion (HEOM) based numerical approach is developed for accurate and efficient evaluation of dynamical observables of strongly correlated quantum impurity systems. This approach is capable of describing…

Strongly Correlated Electrons · Physics 2013-01-28 ZhenHua Li , NingHua Tong , Xiao Zheng , Dong Hou , JianHua Wei , Jie Hu , YiJing Yan

Finding optimal solutions to combinatorial optimization problems is pivotal in both scientific and technological domains, within academic research and industrial applications. A considerable amount of effort has been invested in the…

Statistical Mechanics · Physics 2024-12-13 Zi-Song Shen , Feng Pan , Yao Wang , Yi-Ding Men , Wen-Biao Xu , Man-Hong Yung , Pan Zhang

An iterative approach is introduced, which allows the efficient solution of the hierarchical equations of motion (HEOM) for the steady state of open quantum systems. The approach combines the method of matrix equations with an efficient…

Mesoscale and Nanoscale Physics · Physics 2021-07-15 Christoph Kaspar , Michael Thoss

Modern heterogeneous computing architectures, which couple multi-core CPUs with discrete many-core GPUs (or other specialized hardware accelerators), enable unprecedented peak performance and energy efficiency levels. Unfortunately, though,…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-01-20 Daniel Castro , Paolo Romano , Aleksandar Ilic , Amin M. Khan