相关论文: State Dependent Ring Polymer Molecular Dynamics fo…
This article deals with non-adiabatic processes (i.e. processes excluded by the adiabatic theorem) from the geometrical (group-theoretical) point of view. An approximated formula for the probabilities of the non-adiabatic transitions is…
In recent years, the application of machine learning to physics has been actively explored. In this paper, we study a method for estimating the ground-state energy of quantum Hamiltonians by applying data-driven Koopman analysis within the…
In this work, we readdress the Dirac equation in the position-dependent mass (PDM) scenario. Here, one investigates the quantum dynamics of non-Hermitian fermionic particles with effective mass assuming a $(1+1)$-dimension flat spacetime.…
Noise is ubiquitous in real quantum systems, leading to non-Hermitian quantum dynamics, and may affect the fundamental states of matter. Here we report in experiment a quantum simulation of the two-dimensional non-Hermitian quantum…
The exact formulation of the path integral centroid dynamics is extended to include composites of the position and momentum operators. We present the generalized centroid dynamics (GCD), which provides a basis to calculate Kubo-transformed…
Excited-state nonadiabatic simulations with quantum mechanics/molecular mechanics (QM/MM) are essential to understand photoinduced processes in explicit environments. However, the high computational cost of the underlying quantum chemical…
We simulate the dissipative dynamics of a mesoscopic system of long-range interacting particles which can be mapped into non-Hermitian spin models with a $\mathcal{PT}$ symmetry. We find rich $\mathcal{PT}$-phase diagrams with…
Recently remarkable progress in quantum technology has been witnessed. In view of this it is important to investigate an open quantum system as a model of such quantum devices. Quantum devices often require extreme conditions such as very…
Swimming droplets are a class of active particles whose motility changes as a function of time due to shrinkage and self-avoidance of their trail. Here we combine experiments and theory to show that our non-Markovian droplet (NMD) model,…
Electronic friction and Langevin dynamics is a popular mixed quantum-classical method for simulating the nonadiabatic dynamics of molecules interacting with metal surfaces, as it can be computationally more efficient than fully quantum…
In recent decades the field of quantum computation has seen remarkable development. While much progress has been made toward the realization of a fully digital, scalable, and fault tolerant quantum computer, there are still many essential…
We study the application of a new method for simulating nonlinear dynamics of many-body spin systems using quantum measurement and feedback [Mu\~noz-Arias et al., Phys. Rev. Lett. 124, 110503 (2020)] to a broad class of many-body models…
Warm dense matter systems created in the laboratory are highly dynamical. In such cases electron dynamics is often needed to accurately simulate the evolution and properties of the system. Large systems force one to make simple…
Structure and reaction studies with a method of antisymmetrized molecular dynamics (AMD) were reviewed. Applications of time-independent and time-dependent versions of the AMD were described. In applications of time-independent AMD to…
Electronic and/or vibronic coherence has been found by recent ultrafast spectroscopy experiments in many chemical, biological and material systems. This indicates that there are strong and complicated interactions between electronic states…
Although non-Hermitian dynamics near exceptional points (EPs) provide a route to accelerated entanglement generation, entanglement can also be generated far from EPs at comparable or even higher rates. However, the behavior of such…
Strongly Rydberg-blockaded two-level atoms form a Rydberg superatom, which is excited only to a collective symmetrical Dicke state. However, emerging often in the alkali-earth atoms, the spontaneous decay from the Rydberg state to an…
A mixed quantum-classical approach to simulate the coupled dynamics of electrons and nuclei in nanoscale molecular systems is presented. The method relies on a second order expansion of the Lagrangian in time-dependent density functional…
Elucidation of the mechanism for optical spin initialization of point defects in solids in the context of quantum applications requires an accurate description of the excited electronic states involved. While variational density functional…
We present computer simulations of a simple bead-spring model for polymer melts with intramolecular barriers. By systematically tuning the strength of the barriers, we investigate their role on the glass transition. Dynamic observables are…