Related papers: Multiscale and multimodel simulation of Bloch poin…
Quantum-mechanical correlations of interacting fermions result in the emergence of exotic phases. Magnetic phases naturally arise in the Mott-insulator regime of the Fermi-Hubbard model, where charges are localized and the spin degree of…
Long ranged electrostatic interactions are time consuming to calculate in molecular dynamics and Monte-Carlo simulations. We introduce an algorithmic framework for simulating charged particles which modifies the dynamics so as to allow…
Solid state systems derive their richness from the interplay between interparticle interactions and novel band structures that deviate from those of free particles. Strongly interacting systems, where both of these phenomena are of equal…
The \textit{Spirit} framework is designed for atomic scale spin simulations of magnetic systems of arbitrary geometry and magnetic structure, providing a graphical user interface with powerful visualizations and an easy to use scripting…
It is well known that a particle in a periodic potential with an additional constant force performs Bloch oscillations. Modulating every second period of the potential, the original Bloch band splits into two subbands. The dynamics of…
We study semiclassical dynamics of anisotropic Heisenberg models in two and three dimensions. Such models describe lattice spin systems and hard core bosons in optical lattices. We solve numerically Landau-Lifshitz type equations on a…
Molecular dynamics simulations use statistical mechanics at the atomistic scale to enable both the elucidation of fundamental mechanisms and the engineering of matter for desired tasks. The behavior of molecular systems at the microscale is…
We develop a Monte Carlo wave function algorithm for the quantum linear Boltzmann equation, a Markovian master equation describing the quantum motion of a test particle interacting with the particles of an environmental background gas. The…
We present a novel approach to investigate the long-time stochastic dynamics of multi-dimensional classical systems, in contact with a heat-bath. When the potential energy landscape is rugged, the kinetics displays a decoupling of short and…
We describe a recent multiscale approach based on the concurrent coupling of constrained molecular dynamics for long biomolecules with a mesoscopic lattice Boltzmann treatment of solvent hydrodynamics. The multiscale approach is based on a…
We present efficient numerical methods for the simulation of small magnetization oscillations in three-dimensional micromagnetic systems. Magnetization dynamics is described by the Landau-Lifshitz-Gilbert (LLG) equation, linearized in the…
This paper proposes a semidefinite programming based method for estimating moments of a stochastic hybrid system (SHS). For polynomial SHSs -- which consist of polynomial continuous vector fields, reset maps, and transition intensities --…
Coulomb interaction, following an inverse-square force-law, quantifies the amount of force between two stationary and electrically charged particles. The long-range nature of Coulomb interactions poses a major challenge to molecular…
A recent experimental breakthrough allowed to probe electronic parametric resonance of a single magnetic atom in an STM setup. The results present intriguing features, such as an asymmetric lineshape and unusually large ratio of the…
Quantum simulation is a promising near term application for mesoscale quantum information processors, with the potential to solve computationally intractable problems at the scale of just a few dozen interacting quantum systems. Recent…
Heterogeneous multiscale methods (HMM) combine molecular accuracy of particle-based simulations with the computational efficiency of continuum descriptions to model flow in soft matter liquids. In these schemes, molecular simulations…
This work predicts that individual Bloch points can be created and stabilized by magnetostatic and chiral interactions in nanocuboids, confined in between two chiral bobbers of opposing polarity. The Bloch point can be moved by an external…
We study the high-velocity regime mode-I fracture instability when small microbranches start to appear near the main crack, using large scale simulations. Some of the features of those microbranches have been reproduced qualitatively in…
Time-resolved investigations of ultrafast electronic and molecular dynamics were not possible until recently. The typical time scale of these processes is in the picosecond to attosecond realm. The tremendous technological progress in…
Bloch points in magnetic materials are attractive entities in view of magnetic information transport. Here, Bloch point configuration has been investigated and experimentally determined in a magnetic trilayer…