相关论文: The DNA Nucleobase Thymine in Motion - Intersystem…

We investigate the well-known Shin-Metiu model for an electronic crossing, using both a standard Born-Huang (BH) framework and a novel phase space (PS) electronic Hamiltonian framework. We show that as long as we are not in the strongly…

Fewest-switches surface hopping is studied in the context of quantum-classical Liouville dynamics. Both approaches are mixed quantum-classical theories that provide a way to describe and simulate the nonadiabatic quantum dynamics of…

Bilayer nickelates exhibit high-temperature superconductivity under proper hydrostatic pressure or epitaxial strain, signifying the emergence of quantum phase transitions whose physical mechanisms remain unclear. Using a minimal bilayer…

We study a two-lane two-species exclusion process inspired by Lin et al. (C. Lin et al. J. Stat. Mech., 2011), that exhibits a non-equilibrium pulsing phase. Particles move on two parallel one-dimensional tracks, with one open and one…

In this work, we employ trajectory-based simulations to predict the electronic coherences created by nonadiabatic dynamics near conical intersections. The mapping approach to surface hopping (MASH) is compared with standard fewest-switches…

We build a microscopic model to study the intra- and inter-layer superexchange due to electrons hopping in chromium trihalides ($\mathrm{CrX}_3$, X= Cl, Br, and I). In evaluating the superexchange, we identify the relevant intermediate…

We investigate the cascade decay mechanism for ultrafast intersystem crossing mediated by the spin-orbit coupling in transition-metal complexes. A quantum-mechanical description of the cascading process that occurs after photoexcitation is…

The Jansen-Rit model of a cortical column in the cerebral cortex is widely used to simulate spontaneous brain activity (EEG) and event-related potentials. It couples a pyramidal cell population with two interneuron populations, of which one…

It is well known that the addition of noise to a multistable dynamical system can induce random transitions from one stable state to another. For low noise, the times between transitions have an exponential tail and Kramers' formula gives…

Purely mechanically induced mass transport between diamond and transition metals are investigated using transition thin metal film-deposited AFM tip scratching and in situ TEM scratching test. Due to the weak strength of the transition…

We systematically study the ground-state phase diagrams and the demixing effect of a two-dimensional two-component bosonic system with pair hopping in synthetic dimension by using the cluster Gutzwiller mean-field method. Our results show…

Additional hopping channels in a tight-binding lattice is known to introduce faster dynamics of a quantum mechanical particle. However, we show that in the case of a repulsively bound state, the dynamics becomes abnormally slow when…

In the last few years, several works have identified the concurrence of the spectral, delocalization-localization and topological phase transitions in non-Hermitian quasiperiodic systems in the presence of time-reversal symmetry (TRS), with…

Surface hopping algorithms are popular tools to study dynamics of the quantum-classical mixed systems. In this paper, we propose a surface hopping algorithm in diabatic representations, based on time dependent perturbation theory and…

A dynamical quantum phase transition can occur during time evolution of sudden quenched quantum systems across a phase transition. It corresponds to the nonanalytic behavior at a critical time of the rate function of the quantum state…

Motivated by the phenomenology of transport through the Golgi apparatus of cells, we study a multi-species model with boundary injection of one species of particle, interconversion between the different species of particle, and driven…

Monte Carlo simulation is used to study the dynamical crossover from single file diffusion to normal diffusion in fluids confined to narrow channels. We show that the long time diffusion coefficients for a series of systems involving hard…

First-order phase transition in a highly correlated electron system can manifest as a dynamic phenomenon. The presence of multiple domains of the coexisting phases average out the dynamical effects making it nearly impossible to predict the…

This work discusses the rich phase diagram of non-trivial chiral spin textures in confined ferromagnetic/heavy-metal (FM/HM) bilayer nanomagnets of circular cross-section. These spin textures are realized as a minimum-energy ground state…

We investigate dissipative phase transitions in an open central spin system. In our model the central spin interacts coherently with the surrounding many-particle spin environment and is subject to coherent driving and dissipation. We…