Related papers: Numerically-Exact Quantum-Simulation Approach for …
How atoms and electrons in a molecule move during a chemical reaction and how rapidly energy is transferred to or from the surroundings can be studied with flashes of laser light. However, despite prolonged efforts to develop various…
First principle theoretical modeling of out-of-equilibrium processes observed in attosecond pump-probe transient absorption spectroscopy (TAS) triggering pure electron dynamics remains a challenging task, specially for heavy elements and/or…
We introduce a general numerical method to compute dynamics and multi-time correlations of chains of quantum systems, where each system may couple strongly to a structured environment. The method combines the process tensor formalism for…
We present a quantum thermometry method utilizing an optomechanical system composed of an optical field coupled to a mechanical resonator for measuring the unknown temperature of a thermal bath. To achieve this, we connect a thermal bath to…
Accurate aerodynamic and aerothermodynamic predictions are crucial for numerous hypersonic applications. This paper proposes a gas-kinetic scheme (GKS) coupled with a two-temperature kinetic model, which distinguishes between the…
We introduce multi-pulse quantum noise spectroscopy protocols for spectral estimation of the noise affecting multiple qubits coupled to Gaussian dephasing environments including both classical and quantum sources. Our protocols are capable…
In this paper, we present a study on how to develop an efficient multiscale simulation strategy for the dynamics of chemically active systems on low-dimensional supports. Such reactions are encountered in a wide variety of situations,…
Discretizing a distribution function in a phase space for an efficient quantum dynamics simulation is a non-trivial challenge, in particular for a case that a system is further coupled to environmental degrees of freedom. Such open quantum…
Microscopically probing quantum many-body systems by resolving their constituent particles is essential for understanding quantum matter. In most physical systems, distinguishing individual particles, such as electrons in solids, or…
We present a new approach for the two-temperature molecular dynamics (MD) model for coupled simulations of electronic and phonon heat conduction in nanoscale systems. The proposed method uses a master equation to perform heat conduction of…
Multidimensional spectroscopy has a long history originating from nuclear magnetic resonance, and has now found widespread application at infrared and optical frequencies as well. However, the energy scales of traditional multidimensional…
Data-driven methods for establishing quantum optimal control (QOC) using time-dependent control pulses tailored to specific quantum dynamical systems and desired control objectives are critical for many emerging quantum technologies. We…
The electronic structure of nanoscale moieties (such as molecules and quantum dots) governs the properties and performance of the bottom-up fabricated devices based on their assemblies. Accordingly, simple and faster experimental methods…
The efficient probing of spectral features is important for characterising and understanding the structure and dynamics of quantum materials. In this work, we establish a framework for probing the excitation spectrum of quantum many-body…
The powerful molecular dynamics (MD) simulation is basically based on a picture that the atoms experience classical-like trajectories under the exertion of classical force field determined by the quantum mechanically solved electronic…
We introduce an almost analytical method to simulate 2D electronic spectra as a double Fourier transform of the the non-linear response function (NRF) corresponding to a particular optical pulse sequence. We employ a unitary transformation…
The dynamic structure factor (DSF) is a central quantity for interpreting a vast array of inelastic scattering experiments in chemistry and materials science, but its accurate simulation is a considerable challenge for classical…
To realize efficient computational fluid dynamics (CFD) prediction of two-phase flow, a multi-scale framework was proposed in this paper by applying a physics-guided data-driven approach. Instrumental to this framework, Feature Similarity…
For a digital quantum simulator (DQS) imitating a target system, we ask the following question: Under what conditions is the simulator dynamics similar to that of the target in the presence of coupling to a bath? In this paper, we derive…
$\mathcal{PT}$-symmetric system has attracted extensive attention in recent years because of its unique properties and applications. How to simulate $\mathcal{PT}$-symmetric system in traditional quantum mechanical system has not only…