Related papers: High-throughput electronic band structure calculat…
Numerical simulation of multi-component flow systems characterized by the simultaneous presence of pressure-velocity coupling and pressure-density coupling dominated regions remains a significant challenge in computational fluid dynamics.…
As the sheer amount of computer generated data continues to grow exponentially, new bottlenecks are unveiled that require rethinking our traditional software and hardware architectures. In this paper we present five algorithms and data…
This paper presents a deep unfolding-supported coordinated multipoint beam pattern synthesis (DUCoMP-BPS) scheme to overcome the high complexity, poor adaptability, and limited scalability of traditional cell-free anti-jamming beamforming.…
Modern power systems face a grand challenge in grid management due to increased electricity demand, imminent disturbances, and uncertainties associated with renewable generation, which can compromise grid security. The security assessment…
This study presents an advanced sharp-interface immersed boundary method (IBM) integrated with the blastFOAM library on the OpenFOAM platform for high-speed compressible flow simulations. The developed solver extends the existing IBM…
The background method is a widely used technique to bound mean properties of turbulent flows rigorously. This work reviews recent advances in the theoretical formulation and numerical implementation of the method. First, we describe how the…
Dataflow architectures are growing in popularity due to their potential to mitigate the challenges posed by the memory wall inherent to the Von Neumann architecture. At the same time, high-level synthesis (HLS) has demonstrated its efficacy…
Automatic synthesis of hardware components from declarative specifications is an ambitious endeavor in computer aided design. Existing synthesis algorithms are often implemented with Binary Decision Diagrams (BDDs), inheriting their…
The transfer-matrix methodology is used to solve linear systems of differential equations, such as those that arise when solving Schr\"odinger's equation, in situations where the solutions of interest are in the continuous part of the…
The complexity of round robin method of intraprocedural data flow analysis is measured in number of iterations over the control flow graph. Existing complexity bounds realistically explain the complexity of only Bit-vector frameworks which…
A method to analyze optical transitions is developed by combining the Kubo-Greenwood formula with the unfolding method to construct an unfolded electronic band structure with optical transition weights, which allows us to investigate how…
Iterative multiscale methods for electronic structure calculations offer several advantages for large-scale problems. Here we examine a nonlinear full approximation scheme (FAS) multigrid method for solving fixed potential and…
With its wide coverage and uninterrupted service, satellite communication is a critical technology for next-generation 6G communications. High throughput satellite (HTS) systems, utilizing multipoint beam and frequency multiplexing…
The paper proposes a method to obtain the optimal basis set for solving the self consistent field (SCF) equations for large atomic systems in order to calculate the energy barriers in tunneling structures, with higher accuracy and speed.…
A general method is presented to unfold band structures of first-principles super-cell calculations with proper spectral weight, allowing easier visualization of the electronic structure and the degree of broken translational symmetry. The…
In this investigation, we outline an enveloping models methodology for estimating structural uncertainty bounds on RANS closures. This methodology incorporates both eigenvalue and eigenvector perturbations in the spectral representation of…
FiniteFlow is a public framework for defining and executing numerical algorithms over finite fields and reconstructing multivariate rational functions. The framework allows to build complex algorithms by combining basic building blocks into…
Linear optimal power flow (LOPF) algorithms use a linearization of the alternating current (AC) load flow equations to optimize generator dispatch in a network subject to the loading constraints of the network branches. Common algorithms…
The electronic band structures and optical properties of cubic, tetragonal, and monoclinic phases of HfO2 are calculated using the first-principles linear augmented plane-wave method, within the density functional theory and generalized…
Interoperability and cross-validation remains a significant challenge in the computational materials discovery community. In this context, we introduce a common input/output standard designed for internal translation by various workflow…