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In this review, we describe and analyze a mesoscale simulation method for fluid flow, which was introduced by Malevanets and Kapral in 1999, and is now called multi-particle collision dynamics (MPC) or stochastic rotation dynamics (SRD).…
The particle contact model is important for powder simulations. Although several contact models have been proposed, their validity has not yet been well established. Therefore, we perform molecular dynamics (MD) simulations to clarify the…
We study numerical methods for dissipative particle dynamics (DPD), which is a system of stochastic differential equations and a popular stochastic momentum-conserving thermostat for simulating complex hydrodynamic behavior at mesoscales.…
Contactless manipulation of small objects is essential for biomedical and chemical applications, such as cell analysis, assisted fertilisation, and precision chemistry. Established methods, including optical, acoustic, and magnetic…
Molecular dynamics simulations are used to study structure formation in simple model polymer chains that are subject to excluded volume and torsional interactions. The changing conformations exhibited by chains of different lengths under…
The simulation of soil-structure interaction problems involving two-phase materials poses significant challenges in geotechnical engineering. These challenges arise due to differences in material stiffnesses, the interaction between…
Despite many advantages associated with the use of spherical particles, in practice, non-spherical particles are the main ingredient in sintering-based processing techniques, like selective-laser-sintering, where their shape and surface…
Fluid-particle systems are very common in many natural processes and engineering applications. However, accurately and efficiently modelling fluid-particle systems with complex particle shapes is still a challenging task. Here, we present a…
Understanding the many-body dynamics of isolated quantum systems is one of the central challenges in modern physics. To this end, the direct experimental realization of strongly correlated quantum systems allows one to gain insights into…
We present a simple and efficient method to set up spherical structure models for N-body simulations with a multimass technique. This technique reduces by a substantial factor the computer run time needed in order to resolve a given scale…
For problems in astrophysics, planetary science and beyond, numerical simulations are often limited to simulating fewer particles than in the real system. To model collisions, the simulated particles (aka superparticles) need to be inflated…
Shock-physics numerical codes are essential tools for describing the short but extreme fragmentation stage of the hypervelocity impact process on asteroids. However, accurately representing complex interior structures, surfaces, and contact…
We present an approach to characterize genuine multiparticle entanglement using appropriate approximations in the space of quantum states. This leads to a criterion for entanglement which can easily be calculated using semidefinite…
Astrophysical plasmas in relativistic spacetimes, such as black hole accretion flows, are often weakly collisional and require kinetic modeling to capture non-local transport and particle acceleration. However, the extreme scale separation…
The increasing number of protein-based metamaterials demands reliable and efficient theoretical and computational methods to study the physicochemical properties they may display. In this regard, we develop a simulation strategy based on…
Due to its non-crystalline nature, the glassy state has remained one the most exciting scientific challenges. To study such materials, Molecular Dynamics (MD) simulations have been extensively used because they provide a direct view into…
This paper presents a contact-implicit model predictive control (MPC) framework for the real-time discovery of multi-contact motions, without predefined contact mode sequences or foothold positions. This approach utilizes the…
When objects are forced to flow through constrictions their transport can be frustrated temporarily or permanently due to the formation of arches in the region of the bottleneck. While such systems have been intensively studied in the case…
With a novel 3D discrete-element method specially developed with adhesive contact mechanics, random loose packings of uniform spherical micron-sized particles are fully investigated. The results show that large velocity, large size or weak…
We present a novel simulation technique derived from Brownian cluster dynamics used so far to study the isotropic colloidal aggregation. It now implements the classical Kern-Frenkel potential to describe patchy interactions between…