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We demonstrate the applicability of extended Lagrangian Born-Oppenheimer quantum-based molecular dynamics (XL-BOMD) to model electron transfer reactions occurring on solid-liquid interfaces. Specifically, we consider the reduction of O$_2$…
L\'evy-driven Ornstein-Uhlenbeck (OU) processes represent an intriguing class of stochastic processes that have garnered interest in the energy sector for their ability to capture typical features of market dynamics. However, in the current…
Efficient simulations of quantum evolutions of spin-1/2 systems are relevant for ensemble quantum computation as well as in typical NMR experiments. We propose an efficient method to calculate the dynamics of an observable provided that the…
We perform first-principles relativistic particle-in-cell simulations of aligned pulsar magnetosphere. We allow free escape of particles from the surface of a neutron star and continuously populate the magnetosphere with neutral pair plasma…
We demonstrate the polarization of electron orbital angular momentum (OAM) in neutral atoms by integrating the Zeeman effect with attosecond transient absorption spectroscopy (ATAS). Using density matrix simulations, we show that in a…
There are many astrophysical and laboratory scenarios where kinetic effects play an important role. These range from astrophysical shocks and plasma shell collisions, to high intensity laser-plasma interactions, with applications to fast…
Low-temperature plasmas are essential to both fundamental scientific research and critical industrial applications. As in many areas of science, numerical simulations have become a vital tool for uncovering new physical phenomena and…
The central approximation made in classical molecular dynamics simulation of materials is the interatomic potential used to calculate the forces on the atoms. Great effort and ingenuity is required to construct viable functional forms and…
We present the results of complex seismic analysis of the prototype star SX Phoenicis. This analysis consists of a simultaneous fitting of the two radial-mode frequencies, the corresponding values of the bolometric flux amplitude (the…
Recognizing the impact of contamination from weak gravitational lensing B-modes induced by Large Scale Structure, we examine delensing methods to enhance sensitivity to the tensor-to-scalar ratio $r$ in primordial B-mode detection…
By means of fully kinetic particle-in-cell simulations, we study whether the proton-to-electron mass ratio $m_i/m_e$ influences the energy spectrum and underlying acceleration mechanism during magnetic reconnection. While kinetic…
The interaction of optically emitting clouds with warm X-ray gas and hot, tenuous radio plasma in radio jet cocoons is modelled by 2D compressible hydrodynamic simulations. The initial setup is the Kelvin-Helmholtz instability at a contact…
Coulomb collisions in plasmas are typically modeled using the Boltzmann collision operator, or its variants, which apply to weakly magnetized plasmas in which the typical gyroradius of particles significantly exceeds the Debye length.…
Plasma turbulence is studied using Doppler reflectometry at the TJ-II stellarator. By scanning the tilt angle of the probing beam, different values of the perpendicular wave numbers are probed at the reflection layer. In this way, the…
The observed X-ray source temperature distributions in OB stellar winds, as determined from high energy resolution Chandra observations, show that the highest temperatures occur near the star, and then steadily decrease outward through the…
The main issue of the pulsar magnetosphere is how the rotation power is converted into both particle beams which causes pulsed emissions, and a highly relativistic wind of electron-positron plasmas which forms surrounding nebulae shining in…
We describe the development of a new object kinetic Monte Carlo code where the elementary defect objects are off-lattice atomistic configurations. Atomic-level transitions are used to transform and translate objects, to split objects and to…
Magnetic reconnection is a ubiquitous phenomenon in turbulent plasmas. It is an important part of the turbulent dynamics and heating of space and astrophysical plasmas. We examine the statistics of magnetic reconnection using a quantitative…
Computer aided engineering of multi-time-scale plasma systems which exhibit a quasi-steady state solution are challenging due to the large number of time steps required to reach convergence. Machine learning techniques combined with…
A magneto-optical trap (MOT) of atoms or molecules is studied when two lasers of different detunings and polarization are used. Especially for $J\rightarrow J,J-1$ transitions, a scheme using more than one frequency per transition and…