Related papers: Surface hopping methodology in laser-driven molecu…
Homogeneous nucleation, a textbook transition path for phase transitions, is typically understood on thermodynamic grounds through the prism of classical nucleation theory. However, recent studies have suggested the applicability of…
We consider a class of models of self-interacting bosons hopping on a lattice. We show that properly tailored space-temporal coherent control of the single-body coupling parameters allows for universal quantum computation in a given sector…
The exact factorization of the time-dependent electron-nuclear wavefunction has been employed successfully in the field of quantum molecular dynamics simulations for interpreting and simulating light-induced ultrafast processes. In this…
Experiments indicate that collective coupling of molecular ensembles to confined optical modes can modify excited-state dynamics and photochemical reactivity. To describe such cavity-induced effects at atomic resolution, semi-classical…
Due to a continuum of electronic states present in periodic systems, the description of molecular dynamics on surfaces poses a serious computational challenge. One of the most used families of approaches in these settings are friction…
We present an approach for carrying out non-adiabatic molecular dynamics simulations of systems in which non-adiabatic transitions arise from the coupling between the classical atomic motions and a quasi-continuum of electronic quantum…
Time-periodic driving fields could endow a system with peculiar topological and transport features. In this work, we find dynamically controlled localization transitions and mobility edges in non-Hermitian quasicrystals via shaking the…
Optimization of non-convex loss surfaces containing many local minima remains a critical problem in a variety of domains, including operations research, informatics, and material design. Yet, current techniques either require extremely high…
Quantum computers hold great promise for arriving at exact simulations of nuclear dynamical processes (e.g., scattering and reactions) that are paramount to the study of nuclear matter at the limit of stability and to explaining the…
We present an efficient \textit{ab initio} algorithm for quantum dynamics simulations of interacting systems that is based on the conditional decomposition of the many-body wavefunction [Phys. Rev. Lett. 113, 083003 (2014)]. Starting with…
We present a formula for the spectroscopically accessible level shifts and decay rates of an atom moving at an arbitrary angle relative to a surface. Our Markov formulation leads to an intuitive analytic description whereby the shifts and…
Nonadiabatic quantum interferences emerge whenever nuclear wavefunctions in different electronic states meet and interact in a nonadiabatic region. In this work, we analyze how nonadiabatic quantum interferences translate in the context of…
Irradiation of a molecular system by an intense laser field can trigger dynamics of both electronic and nuclear subsystems. The lighter electrons usually move on much faster, attosecond time scale but the slow nuclear rearrangement damps…
Employing the external degrees of freedom of atoms as synthetic dimensions renders easy and new accesses to quantum engineering and quantum simulation. As a recent development, ultracold atoms suffering from two-photon Bragg transitions can…
Periodically driven quantum systems can be used to realize quantum pumps, ratchets, artificial gauge fields and novel topological states of matter. Starting from the Keldysh approach, we develop a formalism, the Floquet-Boltzmann equation,…
In non-equilibrium statistical physics, active matters in both living and non-living systems have been extensively studied. In particular, self-propelled particle systems provide challenging research subjects in experimental and theoretical…
We use the image solution technique to compute the leading order frequency-dependent self-mobility function of a small solid particle moving perpendicular to the surface of a spherical capsule whose membrane possesses shearing and bending…
Particle transport through an open, discrete 1-D channel against a mechanical or chemical bias is analyzed within a master equation approach. The channel, externally driven by time dependent site energies, allows multiple occupation due to…
We investigate and model the initiation of motion of a single particle on a structured substrate within an oscillatory boundary layer flow, following a mechanistic approach. By deterministically relating forces and torques acting on the…
The instability against emission of massless particles by the trapping horizon of an evolving black hole is analyzed with the use of the Hamilton-Jacobi method. The method automatically selects one special expression for the surface gravity…