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Large supercomputing facilities are critical to research in many areas that impact on decisions such as how to address the current climate emergency. For example, climate modelling, renewable energy facility design and new battery…
This work provides a self-consistent extension of the recently proposed density-based basis-set correction method for wave-function electronic-structure calculations [J. Chem. Phys. 149, 194301 (2018)]. In contrast to the previously used…
This paper studies the performance of single-input multiple-output (SIMO) systems under receive antenna selection (RAS) and BPSK/QPSK modulations. At the receiver, a subset of branches are selected and combined using maximal-ratio combining…
In this paper, we report the results of measurements of the intensities and delays of super-radiance decays from excited helium atoms at multiple wavelengths. The experiment was performed using extreme ultraviolet radiation produced by the…
In this paper, we study the performance of spatial modulation based on reconfigurable antennas. Two main contributions are provided. We introduce an analytical framework to compute the error probability, which is shown to be accurate and…
The Particle-In-Cell (PIC) method is a computational technique widely used in plasma physics to model plasmas at the kinetic level. In this work, we present our effort to prepare the semi-implicit energy-conserving PIC code ECsim for…
Precision matrix is of significant importance in a wide range of applications in multivariate analysis. This paper considers adaptive minimax estimation of sparse precision matrices in the high dimensional setting. Optimal rates of…
Within the framework of QED theory at finite temperature the thermal radiative corrections to spontaneous one-photon transition rates in hydrogen atom are investigated. The radiative one-loop self-energy corrections are described in the…
Power consumption is a critical consideration in high performance computing systems and it is becoming the limiting factor to build and operate Petascale and Exascale systems. When studying the power consumption of existing systems running…
Significant progress has been made in spatial resolution using environmental transmission electron microscopes (ETEM), which now enables atomic resolution visualization of structural transformation under variable temperature and gas…
The computation of radiative opacity or emissivity of hot dense matter is a challenging task. It requires accounting for an immense number of energy levels and lines across various excitation and ionization states. Whether in local…
Energy systems models, critical for power sector decision support, incur non-linear memory and runtime penalties when scaling up under typical formulations. Even hardware improvements cannot make large models tractable, requiring omission…
In this paper we study energy efficient joint power allocation and beamforming for coordinated multicell multiuser downlink systems. The considered optimization problem is in a non-convex fractional form and hard to tackle. We propose to…
We propose an approach for approximating the partition function which is based on two steps: (1) computing the partition function of a simplified model which is obtained by deleting model edges, and (2) rectifying the result by applying an…
Miniaturized on-chip spectrometers with small footprints, lightweight, and low cost are in great demand for portable optical sensing, lab-on-chip systems, and so on. Such miniaturized spectrometers are usually based on engineered spectral…
In recent years, the fervent demand for computational power across various domains has prompted hardware manufacturers to introduce specialized computing hardware aimed at enhancing computational capabilities. Particularly, the utilization…
Efficient exploitation of exascale architectures requires rethinking of the numerical algorithms used in many large-scale applications. These architectures favor algorithms that expose ultra fine-grain parallelism and maximize the ratio of…
The variational quantum eigensolver (VQE) is a promising method for simulating molecular systems on near-term quantum computers. This approach employs energy estimation; however, other relevant molecular properties can be extracted from the…
Jet energy calibration is an important aspect of many measurements and searches at the LHC. Currently, these calibrations are performed on a per-jet basis, i.e. agnostic to the properties of other jets in the same event. In this work, we…
For plane-wave and many-spiral states of the experimentally based Luo-Rudy 1 model of heart tissue in large (8 cm square) domains, we show that an explicit space-time-adaptive time-integration algorithm can achieve an order of magnitude…