相关论文: Fast numerical evaluation of time-derivative nonad…
We propose a computationally efficient approach to the nonadiabatic time-dependent density functional theory (TDDFT) which is based on a representation of the frequency-dependent exchange correlation kernel as a response of a set of damped…
Linear dissipative differential equation is a fundamental model for a large number of physical systems, such as quantum dynamics with non-Hermitian Hamiltonian, open quantum system dynamics, diffusion process and damped system. In this…
We present a method for the numerical calculation of derivatives of functions of general complex matrices. The method can be used in combination with any algorithm that evaluates or approximates the desired matrix function, in particular…
We have presented some practical consequences on the molecular-dynamics simulations arising from the numerical algorithm published recently in paper Int. J. Mod. Phys. C 16, 413 (2005). The algorithm is not a finite-difference method and…
Real-time simulations of laser-driven electron dynamics contain information about molecular optical properties through all orders in response theory. These properties can be extracted by assuming convergence of the power series expansion of…
Universal speeded-up adiabatic geometric quantum computation~(SAGQC) is studied in $\Lambda$-type three-level system with different coupling cases, i.e., time-dependent detuning, large detuning and one-photon resonance couplings,…
Avoided crossings of level pairs with opposite slopes can form potential energy curves for the external degree of freedom of quantum particles. We investigate nonadiabatic decay of metastable states on such avoided crossings (MSACs) using…
Discrete diffusion models have emerged as powerful tools for high-quality data generation. Despite their success in discrete spaces, such as text generation tasks, the acceleration of discrete diffusion models remains under-explored. In…
We introduce the prodiabatic elimination, a powerful approximation technique that systematically extends the adiabatic elimination of fast degrees of freedom in light-matter coupled systems. Through a controlled expansion of operators, the…
Time series anomaly detection holds notable importance for risk identification and fault detection across diverse application domains. Unsupervised learning methods have become popular because they have no requirement for labels. However,…
This paper deals with a construction of new algorithm: the modified trigonometric cubic B-Spline differential quadrature (MTB-DQM) for space discretization together with a time integration algorithm" for numerical computation of the…
Quantum algorithms are prominent in the pursuit of achieving quantum advantage in various computational tasks. However, addressing challenges, such as limited qubit coherence and high error rate in near-term devices, requires extensive…
The nonadiabatic quantum kinetic equations and Dirac-Heisenberg-Wigner formalism for Schwinger pair production in a spatially uniform and time-varying electric field with multiple components are derived and proven to be equivalent. The…
Artificial classical wave systems such as wave crystals and metamaterials have demonstrated promising capabilities in simulating a wide range of quantum mechanical phenomena. Yet some gaps between quantum and classical worlds are generally…
We introduce Transformer-based Neural Quantum Digital Twins (Tx-NQDTs) to simulate full adiabatic dynamics of many-body quantum systems, including ground and low-lying excited states, at low computational cost. Tx-NQDTs employ a…
This study focuses on the numerical discretization methods for the continuous-time discounted linear-quadratic optimal control problem (LQ-OCP) with time delays. By assuming piecewise constant inputs, we formulate the discrete system…
Nonadiabatic holonomic quantum computation has been proposed as a method to implement quantum logic gates with robustness comparable to that of adiabatic holonomic gates but with shorter execution times. In this paper, we establish an…
We present a method to study rare nonadiabatic dynamics in open quantum systems using transition path sampling and quantum jump trajectories. As with applications of transition path sampling to classical dynamics, the method does not rely…
We propose a procedure to fully reconstruct the time-dependent coefficients of convolutionless non-Markovian dissipative generators via a finite number of experimental measurements. By combining a tomography based approach with a proper…
Direct numerical simulations (DNS) are an indispensable tool for understanding the fundamental physics of turbulent flows. Because of their steep increase in computational cost with Reynolds number ($R_{\lambda}$), well-resolved DNS are…