相关论文: RC-HEOM Hybrid Method for Non-Perturbative Open Sy…

The vibrational motion of molecules in dissipative environments, such as solvation and protein molecules, is composed of contributions from both intermolecular and intramolecular modes. The existence of these collective modes introduces…

This paper extends the previously reported theory of dissipation pathways [J. Chem. Phys. 160, 214111 (2024)] to incorporate off-diagonal subsystem-bath coupling, which is often required to model molecular systems where the environment…

We introduce a new algorithm which we call the {Rational Hybrid Monte Carlo} Algorithm (RHMC). This method uses a rational approximation to the fermionic kernel together with a noisy Kennedy-Kuti acceptance step to give an efficient…

The problem of a driven quantum system coupled to a bath and coherently driven is usually treated using either of two approaches: Employing the common secular approximation in the lab frame (as usually done in the context of atomic physics)…

Non-Markovianity may significantly speed up quantum dynamics when the system interacts strongly with an infinite large reservoir, of which the coupling spectrum should be fine-tuned. The potential benefits are evident in many dynamics…

Studies of the dynamics of a quantum system coupled to baths are typically performed by utilizing the Nakajima-Zwanzig memory kernel (${\mathcal{K}}$) or the influence functions ($\mathbf{{I}}$), especially when the dynamics exhibit memory…

Heat transport in open quantum systems is particularly susceptible to the modeling of system-reservoir interactions. It thus requires to consistently treat the coupling between a quantum system and its environment. While perturbative…

Molecular simulations have assumed a paramount role in the fields of chemistry, biology, and material sciences, being able to capture the intricate dynamic properties of systems. Within this realm, coarse-grained (CG) techniques have…

The "hierarchical equations of motion" (HEOM) method is a powerful exact numerical approach to solve the dynamics and find the steady-state of a quantum system coupled to a non-Markovian and non-perturbative environment. Originally…

We introduce the coherent state mapping ring-polymer molecular dynamics (CS-RPMD), a new method that accurately describes electronic non-adiabatic dynamics with explicit nuclear quantization. This new approach is derived by using coherent…

Solving realistic quantum systems coupled to an environment is a challenging task. Here we develop a hierarchical functional derivative (HFD) approach for efficiently solving the non-Markovian quantum trajectories of an open quantum system…

We devise and evaluate numerically Hybrid High-Order (HHO) methods for hyperelastic materials undergoing finite deformations. The HHO methods use as discrete unknowns piecewise polynomials of order $k\ge1$ on the mesh skeleton, together…

Systems in contact with an environment provide a ubiquitous challenge in quantum dynamics. Many fascinating phenomena can arise if the coupling is strong, leading to non-Markovian dynamics of the system, or collective, where the environment…

We present a hierarchical equations of motion approach, which allows a numerically exact simulation of nonequilibrium transport in general open quantum systems involving multiple macroscopic bosonic and fermionic environments. The…

One of the approaches used to solve for the dynamics of open quantum systems is the hierarchical equations of motion (HEOM). Although it is numerically exact, this method requires immense computational resources to solve. The objective here…

Many physical and chemical processes in the condensed phase environment exhibit non-Markovian quantum dynamics. As such simulations are challenging on classical computers, we developed a variational quantum algorithm that is capable of…

Numerical radiation-hydrodynamics (RHD) for non-relativistic flows is a challenging problem because it encompasses processes acting over a very broad range of timescales, and where the relative importance of these processes often varies by…

The hidden Markov model (HMM) provides a powerful framework for inference in time-varying environments, where the underlying state evolves according to a Markov chain. To address the optimal filtering problem in general dynamic settings, we…

All physical systems are to some extent open and interacting with their environment. This insight, basic as it may seem, gives rise to the necessity of protecting quantum systems from decoherence in quantum technologies and is at the heart…

Quantum systems of interest are typically coupled to several quantum channels (more generally environments). In this paper, we develop an exact stochastic Schr\"{o}dinger equation for an open quantum system coupled to a hybrid environment…