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This article proposes a novel high-performance computing approach for the prediction of the temperature field in powder bed fusion (PBF) additive manufacturing processes. In contrast to many existing approaches to part-scale simulations,…
Crosstalk represents a formidable obstacle in quantum computing. When quantum gates are executed parallelly, the resonance of qubit frequencies can lead to residual coupling, compromising the fidelity. Existing crosstalk solutions encounter…
This paper presents range-based 6-DoF Monte Carlo SLAM with a gradient-guided particle update strategy. While non-parametric state estimation methods, such as particle filters, are robust in situations with high ambiguity, they are known to…
Simulating the dynamics of neutral atom arrays is a challenging problem. To address this, we introduce two emulators, emu-sv and emu-mps, as computational backends for Pasqal's pulser package. Emu-sv is designed for high-precision…
A fast simulation of the detector response is a vital task in high-energy physics (HEP). Traditional Monte-Carlo methods form the backbone of modern particle physics simulation software but are computationally expensive. We present a…
We present a new pseudospectral approach for incorporating many-body, nonlocal exact exchange interactions to understand the formation of electron gases in core-shell nanowires. Our approach is efficiently implemented in the open-source…
Every computer model depends on numerical input parameters that are chosen according to mostly conservative but rigorous numerical or empirical estimates. These parameters could for example be the step size for time integrators, a seed for…
A physical simulation engine (PSE) is a software system that simulates physical environments and objects. Modern PSEs feature both forward and backward simulations, where the forward phase predicts the behavior of a simulated system, and…
Particle-in-cell codes are the most widely used simulation tools for kinetic studies of ultra-intense laser-plasma interactions. Using the motion of a single electron in a plane electromagnetic wave as a benchmark problem, we show…
Bioelectrochemistry is crucial for understanding biological functions and driving applications in synthetic biology, healthcare, and catalysis. However, current simulation methods fail to capture both the stochastic nature of molecular…
We present mrfmsim, an open-source Python package that facilitates the design, simulation, and analysis of magnetic resonance force microscopy (MRFM) experiments. MRFM is a scanning-probe technique that detects magnetic resonance from…
Gas electron Multipliers (GEM) are a new generation of gaseous avalanche devices in the Micro Patterned Gaseous Detector category. GEMs are widely used in both nuclear and high energy experiments as well as in medical science. Several…
Simulating detector responses is a crucial part of understanding the inner workings of particle collisions in the Large Hadron Collider at CERN. Such simulations are currently performed with statistical Monte Carlo methods, which are…
We present a Bayesian methodology for infinite as well as finite dimensional parameter identification for partial differential equation models. The Bayesian framework provides a rigorous mathematical framework for incorporating prior…
POLEVAL provides a software toolbox for collaborative, persistent and reproducible analysis of XPS experiments. It allows to treat, analyse and visualise the results of an extended experimental campaign in a single python notebook in a…
Modeling multimetallic systems efficiently enables faster prediction of desirable chemical properties and design of new materials. This work describes an initial implementation for performing multireference wave function method localized…
In this paper, we introduce PASGAL (Parallel And Scalable Graph Algorithm Library), a parallel graph library that scales to a variety of graph types, many processors, and large graph sizes. One special focus of PASGAL is the efficiency on…
Parameterization of interatomic forcefields is a necessary first step in performing molecular dynamics simulations. This is a non-trivial global optimization problem involving quantification of multiple empirical variables against one or…
MPGD are the new frontier in gas trackers. Among this kind of devices, theGEM chambers are widely used. The experimental signals acquired with the detector mustobviously be reconstructed and analysed. In this contribution, a new offline…
Graphene field-effect transistors (GFETs) are experimental devices which are increasingly seeing commercial and research applications. Simulation and modelling forms an important stage in facilitating this transition, however the majority…