Related papers: A study of the decoherence correction derived from…
Microscopic processes on surfaces such as adsorption, desorption, diffusion and reaction of interacting particles can be simulated using kinetic Monte Carlo (kMC) algorithms. Even though kMC methods are accurate, they are computationally…
Using exact diagonalization methods we study possible phases in a one dimensional model of two differently populated fermionic species in a periodically driven optical lattice. The shaking amplitude and frequency are chosen to resonantly…
Observables which distinguish boosted topologies from QCD jets are playing an increasingly important role at the Large Hadron Collider (LHC). These observables are often used in conjunction with jet grooming algorithms, which reduce…
The parton branching process is known to be modified in the presence of a medium. Colour decoherence processes are known to determine the process of energy loss when the density of the medium is large enough to break the correlations…
We calculate the geometric phase of a spin-1/2 system driven by a one and two mode quantum field subject to decoherence. Using the quantum jump approach, we show that the corrections to the phase in the no-jump trajectory are different when…
This paper provides a theoretical and numerical investigation of a penalty decomposition scheme for the solution of optimization problems with geometric constraints. In particular, we consider some situations where parts of the constraints…
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…
The interaction between electronic and vibrational degrees of freedom is an important mechanism in nonequilibrium charge transport through molecular nanojunctions. While adiabatic polaron-type coupling has been studied in great detail, new…
Associative memory Hamiltonian structure prediction potentials are not overly rugged, thereby suggesting their landscapes are like those of actual proteins. In the present contribution we show how basin-hopping global optimization can…
As a counterpoint to recent numerical methods for crystal surface evolution, which agree well with microscopic dynamics but suffer from significant stiffness that prevents simulation on fine spatial grids, we develop a new numerical method…
A very promising approach to obtain efficient upconversion of light is the use of triplet-triplet annihilation of excitations in molecular systems. In real materials, besides upconversion, many other physical processes take place -…
In a cyclotron-based proton therapy facility, the energy changes are performed by means of a degrader of variable thickness. The interaction of the proton beam with the degrader creates energy tails and increases the beam emittance. A…
Generating street-view images from satellite imagery is a challenging task, particularly in maintaining accurate pose alignment and incorporating diverse environmental conditions. While diffusion models have shown promise in generative…
We develop a surface hopping algorithm based on frozen Gaussian approximation for semiclassical matrix Schr\"odinger equations, in the spirit of Tully's fewest switches surface hopping method. The algorithm is asymptotically derived from…
In order to understand the dynamical mechanism of the friction phenomena, we heavily rely on the numerical analysis using various methods: molecular dynamics, Langevin equation, lattice Boltzmann method, Monte Carlo, e.t.c.. We propose a…
We improve on the Thomas-Fermi approximation for the single-particle density of fermions by introducing inhomogeneity corrections. Rather than invoking a gradient expansion, we relate the density to the unitary evolution operator for the…
Microorganisms have developed complex regulatory features controlling their reaction and internal adaptation to changing environments. When modeling these organisms we usually do not have full understanding of the regulation and rely on…
A new scheme is proposed for modeling molecular nonadiabatic dynamics near metal surfaces. The charge-transfer character of such dynamics is exploited to construct an efficient reduced representation for the electronic structure. In this…
Accurate prediction of solar activity calls for precise calibration of solar cycle models. Consequently we aim to find optimal parameters for models which describe the physical processes on the solar surface, which in turn act as proxies…
We study the motion of test particles in the gravitational field of a rotating and deformed object within the framework of the adiabatic theory. For this purpose, the Hartle-Thorne metric written in harmonic coordinates is employed in the…