Related papers: How to correct Ehrenfest nonadiabatic dynamics in …
We investigate entropy production in finitely slow transitions between nonequilibrium steady states in Markov jump processes using the improved adiabatic approximation method proposed by Takahashi, Fujii, Hino and Hayakawa [1]. This method…
Controlling dynamical fluctuations in open quantum systems is essential both for our comprehension of quantum nonequilibrium behaviour and for its possible application in near-term quantum technologies. However, understanding these…
Nonequilibrium electronic forces play a central role in voltage-driven phase transitions but are notoriously expensive to evaluate in dynamical simulations. Here we develop a machine learning framework for adiabatic lattice dynamics coupled…
Despite their deterministic nature, dynamical systems often exhibit seemingly random behaviour. Consequently, a dynamical system is usually represented by a probabilistic model of which the unknown parameters must be estimated using…
A detailed new upgrade of the FEAST eigensolver targeting non-Hermitian eigenvalue problems is presented and thoroughly discussed. It aims at broadening the class of eigenproblems that can be addressed within the framework of the FEAST…
It is known that the usual form of the Ehrenfest theorem (ET), which couples the motion of the center of mass (COM) of the one-dimensional (1D) wave function to the respective classical equation of motion, is not valid in the case of the…
Recent advances in quantum technologies and related experiments have created a need for highly accurate, versatile, and computationally efficient simulation techniques for the dynamics of open quantum systems. Long-lived correlation effects…
We propose a setup of an open quantum system in which the environment can be tuned such that either Markovian or non-Markovian system dynamics can be achieved. The implementation uses ultracold Rydberg atoms, relying on their strong…
The combined quantum electron-nuclear dynamics is often associated with the Born-Huang expansion of the molecular wave function and the appearance of nonadiabatic effects as a perturbation. On the other hand, native multicomponent…
Statistical mechanics is founded on the assumption that all accessible configurations of a system are equally likely. This requires dynamics that explore all states over time, known as ergodic dynamics. In isolated quantum systems, however,…
A much-needed solution for the efficient modeling of strong coupling between matter and optical cavity modes is offered by mean-field mixed quantum--classical dynamics, where a classical cavity field interacts self-consistently with quantum…
The most intriguing properties of non-Hermitian systems are found near the exceptional points (EPs) at which the Hamiltonian matrix becomes defective. Due to the complex topological structure of the energy Riemann surfaces close to an EP…
The theoretical investigation of non-adiabatic processes is hampered by the complexity of the coupled electron-nuclear dynamics beyond the Born-Oppenheimer approximation. Classically, the simulation of such reactions is limited by the…
Exact diagonalization (ED) is a cornerstone technique in quantum many-body physics, enabling precise solutions to the Schr\"odinger equation for interacting quantum systems. Despite its utility in studying ground states, excited states, and…
We treat several key stochastic equations for non-Markovian open quantum system dynamics and present a formalism for finding solutions to them via canonical perturbation theory, without making the Born-Markov or rotating wave approximations…
Non-Hermitian systems have attracted much interest in recent decades, driven partly by the existence of exotic spectral singularities, known as exceptional points (EPs), where the dimensionality of the system evolution operator is reduced.…
Non-adiabatic molecular dynamics (NAMD) simulations have become an indispensable tool for investigating excited-state dynamics in solids. In this work, we propose a general framework, N$^2$AMD which employs an E(3)-equivariant deep neural…
We consider an implementation of the adiabatic spin dynamics approach in a tight-binding description of the electronic structure. The adiabatic approximation for spin-degrees of freedom assumes that the faster electronic degrees of freedom…
Ensemble density functional theory (eDFT) is an exact time-independent alternative to time-dependent DFT (TD-DFT) for the calculation of excitation energies. Despite its formal simplicity and advantages in contrast to TD-DFT (multiple…
We present an approximate semiclassical (SC) framework for mixed quantized dynamics in Wigner phase space in a two-part series. In the first article, we introduced the Adiabatic Hybrid Wigner Dynamics (AHWD) method that allows for a few…