相关论文: Foundations of the Variational Discrete Action The…

We provide a detailed formulation of the recently proposed variational approach [Y. Ashida et al., Phys. Rev. Lett. 121, 026805 (2018)] to study ground-state properties and out-of-equilibrium dynamics for generic quantum spin-impurity…

A reformulation of site-occupation embedding theory (SOET) in terms of Green's functions is presented. Referred to as site-occupation--Green's function embedding theory (SOGET), this novel extension of density-functional theory for model…

A key goal of digital quantum computing is the simulation of fermionic systems such as molecules or the Hubbard model. Unfortunately, for present and near-future quantum computers the use of quantum error correction schemes is still out of…

Calculating the energy spectrum of a quantum system is an important task, for example to analyse reaction rates in drug discovery and catalysis. There has been significant progress in developing algorithms to calculate the ground state…

While quantum computing algorithms have been widely applied for electronic structure calculations, applications to molecular dynamics remain scarce. Complex and varied landscapes of molecular potential energy surfaces give rise to…

Calculating the ground state properties of a Hamiltonian can be mapped to the problem of finding the ground state of a smaller Hamiltonian through the use of embedding methods. These embedding techniques have the ability to drastically…

Motivated by problems from statistical analysis for discretely sampled SPDEs, first we derive central limit theorems for higher order finite differences applied to stochastic process with arbitrary finitely regular paths. These results are…

Quantum dynamics simulations (QDSs) are one of the most highly anticipated applications of quantum computing. Quantum circuit depth for implementing Hamiltonian simulation algorithms is commonly time dependent so that long time dynamics…

Quantum simulation has begun to penetrate the field of quantum chemistry in hopes of efficiently calculating ground state energies and approximating real-time evolution. With modern research highlighting nonadiabatic dynamics, tunably…

Recently, an {\it algebraic-dynamical theory} (ADT) for strongly interacting many-body quantum Hamiltonians in W. Ding, arXiv: 2202.12082 (2022). By introducing the complete operator basis set, ADT proposes a generic framework for…

In this article we review a less known unperturbative and powerful many-body method in the framework of classical statistical mechanics and then we show how it works by means of explicit calculations for a nontrivial classical model. The…

We present a new charge self-consistent scheme combining Density Functional and Dynamical Mean Field Theory, which uses Green's function of multiple scattering-type. In this implementation the many-body effects are incorporated into the…

Variational autoencoder is a powerful deep generative model with variational inference. The practice of modeling latent variables in the VAE's original formulation as normal distributions with a diagonal covariance matrix limits the…

Digital quantum simulation of many-body dynamics relies on Trotterization to decompose the target time evolution into elementary quantum gates operating at a fixed equidistant time discretization. Recent advances have outlined protocols…

The unavoidable coupling of quantum systems to external degrees of freedom leads to dissipative (non-unitary) dynamics, which can be radically different from closed-system scenarios. Such open quantum system dynamics is generally described…

We consider quantum dynamics of the order parameter in the discrete pairing model (Richardson model) in thermodynamic equilibrium. The integrable Richardson Hamiltonian is represented as a direct sum of Hamiltonians acting in different…

We propose and apply the finite-element discrete variable representation to express the nonequilibrium Green's function for strongly inhomogeneous quantum systems. This method is highly favorable against a general basis approach with regard…

Direct simulation of the von Neumann dynamics for a general (pure or mixed) quantum state can often be expensive. One prominent example is the real-time time-dependent density functional theory (rt-TDDFT), a widely used framework for the…

The Transformer architecture has become the state-of-art model for natural language processing tasks and, more recently, also for computer vision tasks, thus defining the Vision Transformer (ViT) architecture. The key feature is the ability…

The self-energy embedding theory (SEET), in which the active space self-energy is embedded in the self-energy obtained from a perturbative method treating the non-local correlation effects, was recently developed in our group. In SEET the…