Related papers: Generalized Discrete Truncated Wigner Approximatio…
We discuss a parameter-free and computationally efficient ab initio simulation approach for moderately and strongly correlated materials, the multitier self-consistent $GW$+EDMFT method. This scheme treats different degrees of freedom, such…
We derive the stochastic equations and consider the non-Markovian dynamics of a system of multiple two-level atoms in a common quantum field. We make only the dipole approximation for the atoms and assume weak atom-field interactions. From…
An approximate method based on adiabatic time dependent density functional theory (TDDFT) is presented, that allows for the description of the electron dynamics in nanoscale junctions under arbitrary time dependent external potentials. In…
We present a pseudospin formulation for the post-quench dynamics of charge-density-wave (CDW) order in the half-filled spinless Holstein model on a square lattice, assuming spatially homogeneous evolution. This Anderson pseudospin…
Combining the density functional theory (DFT) and the Gutzwiller variational approach, a LDA+Gutzwiller method is developed to treat the correlated electron systems from {\it ab-initio}. All variational parameters are self-consistently…
To investigate inelastic electron scattering, which is ubiquitous in various fields of study, we carry out ab initio study of the real-time dynamics of a one-dimensional electron wave packet scattered by a hydrogen atom using different…
We present a detailed derivation and numerical tests of a new mixed quantum-classical scheme to deal with non-adiabatic processes. The method is presented as the zero-th order approximation to the exact coupled dynamics of electrons and…
Excited-state molecular dynamics (ESMD) simulations near conical intersections (CIs) pose significant challenges when using machine learning potentials (MLPs). Although MLPs have gained recognition for their integration into mixed…
Gromov--Wasserstein (GW) distances compare graphs, shapes, and point clouds through internal distances, without requiring a common coordinate system. This invariance is powerful, but discrete GW is a nonconvex quadratic optimal transport…
Nonadiabatic molecular dynamics is an effective method for modeling nonradiative decay in electronically excited molecules. Its accuracy depends strongly on the quality of the potential energy surfaces, and its affordability for long…
It is known that ab initio molecular dynamics (AIMD) simulations of liquid water, based on the generalized gradient approximation (GGA) to density functional theory (DFT), yield structural and diffusive properties in reasonable agreement…
An approach to the quantum-classical mechanics of phase space dependent operators, which has been proposed recently, is remodeled as a formalism for wave fields. Such wave fields obey a system of coupled non-linear equations that can be…
The dynamics of quantum systems under the adiabatic Hamiltonian has attracted attention not only in quantum control but also in a wide range of fields from condensed matter physics to high-energy physics because of its non-perturbative…
We introduce a discrete-time quantum dynamics on a two-dimensional lattice that describes the evolution of a $1+1$-dimensional spin system. The underlying quantum map is constructed such that the reduced state at each time step is…
The development of emerging technologies in quantum optics demands accurate models that faithfully capture genuine quantum effects. Mature semiclassical approaches reach their limits when confronted with quantized electromagnetic fields,…
Quantum electrodynamics in $1+1$ dimensions (Schwinger model) on an interval admits lattice discretization with a finite-dimensional Hilbert space, and is often used as a testbed for quantum and tensor network simulations. In this work we…
Quantum simulation is an important way to study the Dirac particles in a general situation. Discrete quantum walk (DQW), is a powerful quantum simulation scheme, and implementable in well controllable table-top set-ups. We first identify…
The dynamics of a quantum system following a sudden, highly non-adiabatic change of its control parameter (quantum quench) is studied with quasiclassical techniques. Recent works have shown, using exact quantum mechanical approach, that…
In this Letter we present discrete wave turbulence (DWT) as a counterpart of classical statistical wave turbulence (SWT). DWT is characterized by resonance clustering, not by the size of clusters, i.e. it includes, but is not reduced to,…
The central aim of the thesis is to examine how non-classical resources in finite-dimensional quantum systems can be identified, characterized, and protected for practical use in the presence of realistic noise. Using the discrete Wigner…