Related papers: A Vectorized Algorithm for Molecular Dynamics of S…
A variational method is used to derive a self-consistent macro-particle model for relativistic electromagnetic kinetic plasma simulations. Extending earlier work [E. G. Evstatiev and B. A. Shadwick, J. Comput. Phys., vol. 245, pp. 376-398,…
In the worldline formalism, scalar Quantum Electrodynamics on a 2-dimensional lattice is related to the areas of closed loops on this lattice. We exploit this relationship in order to determine the general structure of the moments of the…
In this work, we investigate the dynamics of interacting particle systems subjected to repulsive forces, such as lattices of magnetized particles. To this end, we first develop a general model capable of capturing the complete dynamical…
Optical lattice systems provide exceptional platforms for quantum simulation of many-body systems. We focus on the doubly modulated Bose-Hubbard model driven by both time-dependent on-site energy and interaction, and predict the emergence…
We present a brief tutorial on the nuts and bolts computation of a multisymplectic particle-in-cell algorithm using the discretized Lagrangian approach. This approach, originated by Marsden, Shadwick, and others, brings the benefits of…
We investigate long-range correlations (LRCs) induced by shear flow using the molecular dynamics (MD) simulation. We observe the LRCs by comparing the MD results with the linearized fluctuating hydrodynamics (LFH). We find that the MD…
A large number of powerful, high-quality, and open-source simulation packages exist to efficiently perform molecular dynamics simulations, and their prevalence has greatly accelerated discoveries across a wide range of scientific domains.…
The fields of quantum simulation with cold atoms [1] and quantum optics [2] are currently being merged. In a set of recent pathbreaking experiments with atoms in optical cavities [3,4] lattice quantum many-body systems with both, a…
We introduce a lattice model for a static and isotropic system of relativistic fermions. An action principle is formulated, which describes a particle-particle interaction of all fermions. The model is designed specifically for a numerical…
Dynamics in correlated quantum matter is a hard problem, as its exact solution generally involves a computational effort that grows exponentially with the number of constituents. While a remarkable progress has been witnessed in recent…
Quantum dynamics of a charged particle in a 2D lattice subject to magnetic and electric fields is a rather complicated interplay between cyclotron oscillations (the case of vanishing electric field) and Bloch oscillations (zero magnetic…
The mechanisms of physical and chemical interactions of low temperature plasmas with surfaces can be fruitfully explored using molecular dynamics (MD) simulations. MD simulations follow the detailed motion of sets of interacting atoms…
Enzyme-catalysed reactions involve two distinct timescales. There is a short timescale on which enzymes bind to substrate molecules to produce bound complexes, and a comparatively long timescale on which the complex is transformed into a…
We discuss the problem of two particles interacting via short-range interactions within a harmonic-oscillator trap. The interactions are organized according to their number of derivatives and defined in truncated model spaces made from a…
We propose a hybrid model, coupling Lattice Boltzmann and Molecular Dynamics models, for the simulation of dense fluids. Time and length scales are decoupled by using an iterative Schwarz domain decomposition algorithm. The MD and LB…
A new parallel algorithm utilizing partitioned global address space (PGAS) programming model to achieve high scalability is reported for particle tracking in direct numerical simulations of turbulent flow. The work is motivated by the…
A new Markov Chain Monte Carlo method for simulating the dynamics of molecular systems characterized by hard-core interactions is introduced. In contrast to traditional Kinetic Monte Carlo approaches, where the state of the system is…
The rapid advancements in ultrafast laser technology have paved the way for pumping and probing the out-of-equilibrium dynamics of nuclei in crystals. However, interpreting these experiments is extremely challenging due to the complex…
The adhesion of flowing particles and biological cells over fixed collecting surfaces is vitally important in diverse situations and potentially controlled by small-scale surface heterogeneity on the particle. Differences in the behavior of…
Interactions between quantum particles, such as electrons, are the source of important effects, ranging from superconductivity, to the formation of molecular bonds, or the stability of elementary compounds at high-energies. In this article,…