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The modern power system is evolving with increasing penetration of power electronics introducing complicated electromagnetic phenomenon. Electromagnetic transient (EMT) simulation is essential to understand power system behavior under…
This paper is a computational bifurcation analysis of a non-linear partial differential equation (PDE) characterizing equilibrium configurations in Micro electromechanical Systems (MEMS). MEMS are engineering systems that utilize…
Nonequilibrium Green's functions provide a powerful framework for studying quantum many-body dynamics including the laser-induced dynamics in solids. The Non-Equilibrium Systems Simulation package (NESSi) offers an efficient platform for…
With the interactivity and multiple representation features, computer simulations lend itself to the guided inquiry learning. However, these simulations are usually designed for post-elementary students. Thus, the aim of this study is to…
The methods which are actively used for electronic structure calculations of low-lying states of heavy- and superheavy-element compounds are briefly described. The advantages and disadvantages of calculations with the Dirac-Coulomb-Breit…
Many scientific computing problems can be reduced to Matrix-Matrix Multiplications (MMM), making the General Matrix Multiply (GEMM) kernels in the Basic Linear Algebra Subroutine (BLAS) of interest to the high-performance computing…
There have been great efforts on the development of higher-order numerical schemes for compressible Euler equations. The traditional tests mostly targeting on the strong shock interactions alone may not be adequate to test the performance…
The architecture of Exascale computing facilities, which involves millions of heterogeneous processing units, will deeply impact on scientific applications. Future astrophysical HPC applications must be designed to make such computing…
Machine learning (ML) applications become increasingly common in many domains. ML systems to execute these workloads include numerical computing frameworks and libraries, ML algorithm libraries, and specialized systems for deep neural…
Ultra-large scale (ULS) systems are becoming pervasive. They are inherently complex, which makes their design and control a challenge for traditional methods. Here we propose the design and analysis of ULS systems using measures of…
Euler-Lagrange (EL) simulations provide a direct and robust framework for modeling disperse multiphase flows. However, they are computationally expensive. While various approaches have attempted to leverage heterogeneous computing…
In this article we propose and numerically implement a mathematical model for the simulation of three-dimensional semiconductor devices characterized by an heterogeneous material structure. The model consists of a system of nonlinearly…
Building Automation Systems (BAS) are exemplars of Cyber-Physical Systems (CPS), incorporating digital control architectures over underlying continuous physical processes. We provide a modular model library for BAS drawn from expertise…
Energy functions for pure and heterogenous systems are one of the backbones for molecular simulation of condensed phase systems. With the advent of machine learned potential energy surfaces (ML-PESs) a new era has started. Statistical…
The increased computerization in recent years has resulted in the production of a variety of different software, however measures need to be taken to ensure that the produced software isn't defective. Many researchers have worked in this…
The human neuromuscular system consisting of skeletal muscles and neural circuits is a complex system that is not yet fully understood. Surface electromyography (EMG) can be used to study muscle behavior from the outside. Computer…
Manufacturing Execution Systems (MES) optimize production and business processes at the same time. However, the engineering and specification of MES is a challenging, interdisciplinary process. Especially IT and production experts with…
Many scientific problems require multiple distinct computational tasks to be executed in order to achieve a desired solution. We introduce the Ensemble Toolkit (EnTK) to address the challenges of scale, diversity and reliability they pose.…
We describe a combination of all-atom simulations with CABS, a well-established coarse-grained protein modeling tool, into a single multiscale protocol. The simulation method has been tested on the C-terminal beta hairpin of protein G, a…
The given paper considered a generalized model representation of the software system "Instrumental complex for ontological engineering purpose". Represented complete software system development process. Developed relevant formal models of…