Related papers: Modeling Fibril Fragmentation in Real-Time
Amyloid fibers are aggregates of proteins. They are built out of a peptide called $\beta$--amyloid (A$\beta$) containing between 41 and 43 residues, produced by the action of an enzyme which cleaves a much larger protein known as the…
In this work, we derive particle schemes, based on micro-macro decomposition, for linear kinetic equations in the diffusion limit. Due to the particle approximation of the micro part, a splitting between the transport and the collision part…
Network models are used as efficient representation of materials with complex, interconnected locally one-dimensional structures. They typically accurately capture the mechanical properties of a material, while substantially reducing…
We propose an experimental study of adaptive time-stepping methods for efficient modeling of the aggregation-fragmentation kinetics. Precise modeling of this phenomena usually requires utilization of the large systems of nonlinear ordinary…
Numerical simulation of atmospheric turbulence is one of the biggest bottlenecks in developing computational techniques for solving the inverse problem in long-range imaging. The classical split-step method is based upon numerical wave…
The increasing application of cardiorespiratory simulations for diagnosis and surgical planning necessitates the development of computational methods significantly faster than the current technology. To achieve this objective, we leverage…
We propose a primal-dual backward reflected forward splitting method for solving structured primal-dual monotone inclusion in real Hilbert space. The algorithm allows to use the inexact computations of the Lipschitzian and cocoercive…
This study focuses on the numerical modeling of wave propagation in fractionally-dissipative media. These viscoelastic models are such that the attenuation is frequency dependent and follows a power law with non-integer exponent. As a…
Tight binding molecular dynamics simulations, with a non orthogonal basis set, are performed to study the fragmentation of carbon fullerenes doped with up to six silicon atoms. Both substitutional and adsorbed cases are considered. The…
A general approach to simulate the mechanical behavior of textile materials by taking into account all their constitutive elementary fibers and contacts between them is presented in this paper. A finite element code, based on an implicit…
The presence of a phase transition in a finite system can be deduced, together with its order, from the shape of the distribution of the order parameter. This issue has been extensively studied in multifragmentation experiments, with…
The incorporation of particle inertia into the usual mean field theory for particle aggregation and fragmentation in fluid flows is still an unsolved problem. We therefore suggest an alternative approach that is based on the dynamics of…
A fiber bundle model in $(1+1)$-dimensions for the breaking of fibrous composite matrix is introduced. The model consists of $N$ parallel fibers fixed in two plates. When one of the plates is pulled in the direction parallel to the fibers,…
High-fidelity physics simulations are powerful tools in the design and optimization of charged particle accelerators. However, the computational burden of these simulations often limits their use in practice for design optimization and…
Suppose we observe a trajectory of length $n$ from an exponentially $\alpha$-mixing stochastic process over a finite but potentially large state space. We consider the problem of estimating the probability mass placed by the stationary…
Training diffusion models is always a computation-intensive task. In this paper, we introduce a novel speed-up method for diffusion model training, called, which is based on a closer look at time steps. Our key findings are: i) Time steps…
We propose a fast algorithm for evaluating the moments of Bingham distribution. The calculation is done by piecewise rational approximation, where interpolation and Gaussian integrals are utilized. Numerical test shows that the algorithm…
The data heterogeneity across devices and the limited communication resources, e.g., bandwidth and energy, are two of the main bottlenecks for wireless federated learning (FL). To tackle these challenges, we first devise a novel FL…
Feynman path integrals (PIs) have found many uses in approximate quantum dynamics methods that are able to efficiently calculate real-time quantum correlation functions. The PIs typically take the form of discrete imaginary time slices over…
Efficient molecular dynamics (MD) simulation is vital for understanding atomic-scale processes in materials science and biophysics. Traditional density functional theory (DFT) methods are computationally expensive, which limits the…