Related papers: High-throughput electronic band structure calculat…
High throughput satellites (HTSs) outpace traditional satellites due to their multi-beam transmission. The rise of low Earth orbit mega constellations amplifies HTS data rate demands to terabits/second with acceptable latency. This surge in…
We present here a Finite Element Method devoted to the simulation of 3D periodic structures of arbitrary geometry. The numerical method based on ARPACK and PARDISO libraries, is discussed with the aim of extracting the eigenmodes of…
Autonomous experimentation systems have been used to greatly advance the integrated computational materials engineering (ICME) paradigm. This paper outlines a framework that enables the design and selection of data collection workflows for…
Advancements in theoretical and algorithmic approaches, workflow engines, and an ever-increasing computational power have enabled a novel paradigm for materials discovery through first-principles high-throughput simulations. A major…
OpenFOAM is a widely used computational fluid dynamics (CFD) framework based on the finite volume method for solving a wide range of flow problems. However, its default numerical schemes, particularly the Kurganov-Noelle-Petrova (KNP)…
Part II of this paper elaborates on the unique capability of the proposed power flow analysis framework to obtain the true solution corresponding to the stable operating point of a network. It explains the significance of obtaining the true…
High-level synthesis (HLS) has enabled the rapid development of custom hardware circuits for many software applications. However, developing high-performance hardware circuits using HLS is still a non-trivial task requiring expertise in…
$\textit{A priori}$ prediction of phase stability of materials is a challenging practice, requiring knowledge of all energetically-competing structures at formation conditions. Large materials repositories $\unicode{x2014}$ housing…
Complex algebraic calculations can be performed by reconstructing analytic results from numerical evaluations over finite fields. We describe FiniteFlow, a framework for defining and executing numerical algorithms over finite fields and…
A high-fidelity simulation of the shock/transitional boundary layer interaction caused by a 15-degrees axisymmetrical compression ramp is performed at a freestream Mach number of 5 and a transitional Reynolds number. The inlet of the…
The recently proposed non-iterative load flow method, called the holomorphic embedding method, may encounter the precision issue, i.e. nontrivial round-off errors caused by the limit of digits used in computation when calculating the…
Electronic band structure is a cornerstone of condensed matter physics and materials science. Conventional methods like Wannier interpolation (WI), which are commonly used to interpolate band structures onto dense k-point grids, often…
We introduce SurfFlow, an open-source high-throughput workflow package designed for automated first-principles calculations of surface energies in arbitrary crystals. Our package offers a comprehensive solution capable of handling…
We introduce a practical and efficient approach for calculating the all-electron full potential bandstructure in real space, employing a finite element basis. As an alternative to the k-space method, the method involves the self-consistent…
Asynchronous message-passing systems are employed frequently to implement distributed mechanisms, protocols, and processes. This paper addresses the problem of precise data flow analysis for such systems. To obtain good precision, data flow…
We present a novel framework inspired by the Immersed Boundary Method for predicting the fluid-structure interaction of complex structures immersed in flows with moderate to high Reynolds numbers. The main novelties of the proposed…
In this paper we present a Graphical Processing Unit accelerated mixed variational formulation for fast phononic band-structure calculation of arbitrarily complex unit cells and report speed gains of a hundred fold over unoptimized serial…
The envelope function method traditionally employs a single basis set which, in practice, relates to a single material because the $k\cdot p$ matrix elements are generally only known in a particular basis. In this work, we defined a basis…
High-dimensional (HD) entanglement promises both enhanced key rates and overcoming obstacles faced by modern-day quantum communication. However, modern convex optimization-based security arguments are limited by computational constraints;…
In order for FPGAs to be successful outside traditional markets, tools which enable software programmers to achieve high levels of system performance while abstracting away the FPGA-specific details are needed. DSPB Builder Advanced (DSPBA)…