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A well-known approach to describe the dynamics of an open quantum system is to compute the master equation evolving the reduced density matrix of the system. This approach plays an important role in describing excitation transfer through…

Quantum Physics · Physics 2022-10-25 Kimara Naicker , Ilya Sinayskiy , Francesco Petruccione

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

The multi-mode anharmonic Brownian motion model provides a universal framework for simulating molecular vibrations in condensed phases. When vibrational energy surpasses thermal excitation, quantum effects become significant, necessitating…

Chemical Physics · Physics 2026-03-18 Ryotaro Hoshino , Yoshitaka Tanimura

The Hierarchical equations of motion (HEOM) method is an important non-perturbative technique, allowing numerically exact treatment of open quantum systems with strong coupling and non-Markovian memory. However, its encoding of bath memory…

Quantum Physics · Physics 2026-03-25 Po-Rong Lai , Jhen-Dong Lin , Yi-Te Huang , Po-Chen Kuo , Neill Lambert , Yueh-Nan Chen

Preparation of low-energy quantum many-body states has a wide range of applications in quantum information processing and condensed matter physics. Quantum cooling algorithms offer a promising alternative to other methods based, for…

Quantum Physics · Physics 2025-08-22 Daniel Molpeceres , Sirui Lu , J. Ignacio Cirac , Barbara Kraus

Recent investigations have demonstrated that multi-phonon scattering processes substantially influence the thermal conductivity of materials, posing significant computational challenges for classical simulations as the complexity of phonon…

Quantum Physics · Physics 2024-07-30 Xiangjun Tan

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…

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

We derive an extended version of the hierarchical equations of motion (HEOM) to compute output physical properties of a bosonic environment, which is allowed to be initially prepared at an earlier time in a non-Gaussian input state and then…

Quantum Physics · Physics 2025-08-15 Mauro Cirio , Pengfei Liang , Neill Lambert

We simulate the excited states of the Lipkin model using the recently proposed Quantum Equation of Motion (qEOM) method. The qEOM generalizes the EOM on classical computers and gives access to collective excitations based on quasi-boson…

A dynamical decoupling scheme for the deterrence of errors in the non-Markovian (usually corresponding to low temperature, short time, and strong coupling) regimes suitable for qubits constructed out of a multilevel structure is studied. We…

Quantum Physics · Physics 2007-05-23 K. Shiokawa , B. L. Hu

The hierarchical equations of motion (HEOM) approach can describe the reduced dynamics of a system simultaneously coupled to multiple bosonic and fermionic environments. The complexity of exactly describing the system-environment…

In this paper we present a quantum algorithm that uses noise as a resource. The goal of our quantum algorithm is the calculation of operator averages of an open quantum system evolving in time. Selected low-noise system qubits and noisy…

Quantum error mitigation (QEM) has emerged as a powerful tool for the extraction of useful quantum information from quantum devices. Here, we introduce the Subspace Noise Tailoring (SNT) algorithm, which efficiently combines the cheap cost…

TENSO is a versatile and powerful open-source software package for numerically exact simulations of the dynamics of quantum systems immersed in structured thermal environments. It is based on a tree tensor network decomposition of the…

Simulating open quantum systems on quantum computers presents a fundamental challenge: open quantum dynamics are intrinsically nonunitary, whereas quantum computers operate through unitary evolution. Conventional approaches overcome this…

Quantum Physics · Physics 2025-10-27 Sameer Dambal , Akira Sone , Yu Zhang

Preparing thermal states on a quantum computer can have a variety of applications, from simulating many-body quantum systems to training machine learning models. Variational circuits have been proposed for this task on near-term quantum…

Quantum Physics · Physics 2021-11-09 Jonathan Foldager , Arthur Pesah , Lars Kai Hansen

Being a numerically exact method for the simulation of dynamics in open quantum systems, the hierarchical equations of motion (HEOM) still suffers from the curse of dimensionality. In this study, we propose a novel MCE-HEOM method, which…

Chemical Physics · Physics 2025-09-08 Zhecun Shi , Huiqiang Zhou , Lei Huang , Rixin Xie , Linjun Wang

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…

Molecular vibrations in solutions, especially OH stretching and bending in water, drive ultrafast energy relaxation and dephasing in chemical and biological systems. We present a machine learning approach for constructing system-bath models…

Chemical Physics · Physics 2026-03-18 Kwanghee Park , Ju-Yeon Jo , Yoshitaka Tanimura