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This paper presents results of numerical simulations of electron tunneling through water that extend our previous calculations on such systems in several ways. First, a tip-substrate configuration is used; second, calculations are carried…
Numerical results on the translocation of long biopolymers through mid-sized and wide pores are presented. The simulations are based on a novel methodology which couples molecular motion to a mesoscopic fluid solvent. Thousands of events of…
As an example for the interplay of structure, dynamics, and phase behavior of macromolecular systems, this article focuses on the problem of bottle-brush polymers with either rigid or flexible backbones. On a polymer with chain length…
In this paper we continue investigations of the Parker-shearing instability performing numerical simulations of the magnetic flux tube dynamics in the thin flux-tube approximation. We show that evolution of flux tubes resulting from…
Channel modeling for satellite-to-underwater laser communication (StULC) links remains challenging due to long distances and the diversity of the channel constituents. The StULC channel is typically segmented into three isolated channels:…
The present study investigates influence of compressibility on separation induced transition in a low pressure turbine cascade using high fidelity direct numerical simulations of the T106A blade. Simulations are performed for inlet Mach…
Flow marks are common surface defects that occur in injection-molded products. Their formation may be related to the flow process of the melt in the mold. Through dimensional analysis, we have discovered that the geometric shape of the flow…
Network embedding which encodes all vertices in a network as a set of numerical vectors in accordance with it's local and global structures, has drawn widespread attention. Network embedding not only learns significant features of a…
In this paper we propose a new method to enhance a mapping $\mu(\cdot)$ of a parallel application's computational tasks to the processing elements (PEs) of a parallel computer. The idea behind our method \mswap is to enhance such a mapping…
We propose a demonstration-efficient strategy to compress a computationally expensive Model Predictive Controller (MPC) into a more computationally efficient representation based on a deep neural network and Imitation Learning (IL). By…
Turbulent flows are fundamental in engineering and the environment, but their chaotic and three-dimensional (3-D) nature makes them computationally expensive to simulate. In this work, a dimensionality reduction technique is investigated to…
Immersed boundary methods are extensively used for simulations of dynamic solid objects interacting with fluids due to their computational efficiency and modelling flexibility compared to body-fitted grid methods. However, thin geometries,…
We describe a complete methodology to bridge the scales between nanoscale Molecular Dynamics and (micrometer) mesoscale Monte Carlo simulations in lipid membranes and vesicles undergoing phase separation, in which curving molecular species…
Fully 3-dimensional computations of flow through a long pipe demand a huge number of degrees of freedom, making it very expensive to explore parameter space and difficult to isolate the structure of the underlying dynamics. We therefore…
In simulations of crystals, unlike liquids or gases, it may happen that the properties of the studied system depend not only on the volume of the simulation cell but also on its shape. For such cases it is desirable to change the shape of…
Embeddings are a powerful way to enrich data-driven machine learning models with the world knowledge of large language models (LLMs). Yet, there is limited evidence on how to design effective LLM-based embedding pipelines for tabular…
We revisit the impact of finite time responses of bolometric detectors used for deep observations of the cosmic microwave background (CMB). Until now, bolometer transfer functions have been accounted for through a two-step procedure by…
Computer simulation is an important tool for scientific progress, especially when lab experiments are either extremely costly and difficult or lack the required resolution. However, all of the simulation methods come with limitations. In…
Recent research has shown that motile cells can adapt their mode of propulsion depending on the environment in which they find themselves. One mode is swimming by blebbing or other shape changes, and in this paper we analyze a class of…
In this paper, a finite volume lattice Boltzmann method (FVLBM) based on cell-center unstructured girds is presented and full studied to simulate the incompressible laminar flows, which is simple modified from the cell-vertex unstructured…