Related papers: Predicting Magnetic Janus Particle Assembly with D…
Magnetic Janus particles (MJPs), fabricated by covering a non-magnetic spherical particle with a hemispherical magnetic in-plane exchange-bias layer system cap, display an onion magnetization state for comparably large diameters of a few…
1. Understanding the mechanisms underlying biological systems, and ultimately, predicting their behaviours in a changing environment requires overcoming the gap between mathematical models and experimental or observational data.…
In this paper, we present a new module to predict the potential surface reconstruction configurations of given surface structures in the framework of our machine learning and graph theory assisted universal structure searcher (MAGUS). In…
Differential Evolution (DE) is a highly successful population based global optimisation algorithm, commonly used for solving numerical optimisation problems. However, as the complexity of the objective function increases, the wall-clock…
Inverse design of heterogeneous material microstructures is a fundamentally ill-posed and famously computationally expensive problem. This is exacerbated by the high-dimensional design spaces associated with finely resolved images,…
Data-driven and deep learning approaches have demonstrated to have the potential of replacing classical constitutive models for complex materials. Yet, the necessity of structuring constitutive models with an incremental formulation has…
We introduce JAX MD, a software package for performing differentiable physics simulations with a focus on molecular dynamics. JAX MD includes a number of physics simulation environments, as well as interaction potentials and neural networks…
We develop a finite element method for a large deformation membrane elasticity problem on meshed surfaces using a tangential differential calculus approach that avoids the use of classical differential geometric methods. The method is also…
We propose a new microscopy simulation system that can depict atomistic models in a micrograph visual style, similar to results of physical electron microscopy imaging. This system is scalable, able to represent simulation of electron…
A class of binary mixtures of Janus fluids formed by colloidal spheres with the hydrophobic hemispheres constrained to point either up or down are studied by means of Gibbs ensemble Monte Carlo simulations and simple analytical…
We report a Monte Carlo simulation of deposition of magnetic particles on a one-dimensional substrate. Incoming particles interact with those that are already part of the deposit via a dipole-dipole potential. The strength of the dipolar…
In this paper, we introduce Janus, an autoregressive framework that unifies multimodal understanding and generation. Prior research often relies on a single visual encoder for both tasks, such as Chameleon. However, due to the differing…
This paper thoroughly investigates a range of popular DE configurations to identify components responsible for the emergence of structural bias - recently identified tendency of the algorithm to prefer some regions of the search space for…
Introducing a reduced particle stiffness in discrete element method (DEM) allows for bigger time steps and therefore fewer total iterations in a simulation. Although this approach works well for dry non-adhesive particles, it has been shown…
De novo prediction of protein structures, the prediction of structures from amino-acid sequences which are not similar to those of hitherto resolved structures, has been one of the major challenges in molecular biophysics. In this paper, we…
We derive a new analytical model for the evolution of a collisional cascade in a thin annulus around a single central star. In this model, $r_{max}~$ the size of the largest object declines with time (t); $r_{max} \propto t^{-\gamma}$, with…
Equations for dislocation evolution bridge the gap between dislocation properties and continuum descriptions of plastic behavior of crystalline materials. Computer simulations can help us verify these evolution equations and find their…
Nanoscale precipitates in the microstructure of nickel-based superalloys hinder dislocation motion, which results in an extraordinary strengthening effect at elevated temperatures. We used molecular dynamics (MD) with classical effective…
Active systems comprising micron-sized self-propelling units, also termed microswimmers, are promising candidates for the bottom-up assembly of small structures and reconfigurable materials. Here we leverage field-driven colloidal assembly…
Understanding how pore structure influences flow and transport behaviour in granular materials is essential for addressing a wide range of geotechnical, hydraulic, and environmental challenges. These processes are largely shaped by the…