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In the context of proxy modeling for process systems, traditional data-driven deep learning approaches frequently encounter significant challenges, such as substantial training costs induced by large amounts of data, and limited…
The enhanced Gaussian noise (EGN) model, which accounts for inter-channel stimulated Raman scattering (ISRS), has been extensively utilized for evaluating nonlinear interference (NLI) within the C+L band. Compared to closed-form expressions…
We discuss a detailed weak scaling analysis of GEM, a 3D MPI-parallelised gyrofluid code used in theoretical plasma physics at the Max Planck Institute of Plasma Physics, IPP at Garching b. M\"unchen, Germany. Within a PRACE Preparatory…
We propose a novel approach for boosting the realized gain in enhanced directivity arrays with both active and parasitic dipoles as radiating elements. The optimization process involves two main objectives: maximizing the end-fire gain and…
Many entities managed by HEP Software Frameworks represent spatial (3-dimensional) real objects. Effective definition, manipulation and visualization of such objects is an indispensable functionality. GraXML is a modular Geometric Modeling…
In this note is presented a method, given nodal values on multidimensional nonconforming spectral elements, for calculating global Fourier-series coefficients. This method is ``exact'' in that given the approximation inherent in the…
Based on the previously developed Energy Conserving Semi Implicit Method (ECsim) code, we present its cylindrical implementation, called ECsim-CYL, to be used for axially symmetric problems. The main motivation for the development of the…
Simulations with an explicit description of intermolecular forces using electronic structure methods are still not feasible for many systems of interest. As a result, empirical methods such as force fields (FF) have become an established…
The physics-based modeling has been the workhorse for many decades in many scientific and engineering applications ranging from wind power, weather forecasting, and aircraft design. Recently, data-driven models are increasingly becoming…
We develop the XCALIB toolkit to calibrate the beam profile of an X-ray free-electron laser (XFEL) at the focal spot based on the experimental charge state distributions (CSDs) of light atoms. Accurate characterization of the fluence…
We develop a novel parallel resampling algorithm for fully parallelized particle filters, which is designed with GPUs (graphics processing units) or similar parallel computing devices in mind. With our new algorithm, a full cycle of…
Owing to the forecasted improved sensitivity of ground-based gravitational-wave detectors, new research avenues will become accessible. This is the case for gravitational-wave strong lensing, predicted with a non-negligible observation rate…
PySCF is a general-purpose electronic structure platform designed from the ground up to emphasize code simplicity, both to aid new method development, as well as for flexibility in computational workflow. The package provides a wide range…
We present an end-to-end simulation and data-processing framework for digital beamforming experiments conducted with four stations of the 21 Centimeter Array (21CMA). Motivated by the need to characterize instrumental systematics, such as…
To test and calibrate various detectors in nuclear and high energy physics experiments, a general purposed calibration instrument has been developed. All information including timing, amplitude and charge of signals can be directly obtained…
Accurate learning of system dynamics is becoming increasingly crucial for advanced control and decision-making in engineering. However, real-world systems often exhibit multiple channels and highly nonlinear transition dynamics, challenging…
We introduce WaveSim, a multi-scale similarity metric for the evaluation of spatial fields in weather and climate applications. WaveSim exploits wavelet transforms to decompose input fields into scale-specific wavelet coefficients. The…
We present a novel Python tool for the analysis of Geant4 simulations that enhances our understanding of coherent phenomena occurring during the interaction of charged particles with crystal planes. This tool compares the total energy of…
Detailed radiation analysis of instruments flown in space is critical to ensure mission safety, often requiring the use of state-of-the-art particle transport simulation tools. Geant4 is one of the most powerful toolkits to simulate the…
The resources needed for Particle in Cell simulations of Laser Wakefield Acceleration can be greatly reduced in many cases of interest using an envelope model. However, the inclusion of tunneling ionization in this time averaged treatment…