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Muon beam-induced plasma loading of radio-frequency (RF) cavities filled with high pressure hydrogen gas with 1% dry air dopant has been studied via numerical simulations. The electromagnetic code SPACE, that resolves relevant atomic…
Theoretical studies on chemical reaction mechanisms have been crucial in organic chemistry. Traditionally, calculating the manually constructed molecular conformations of transition states for chemical reactions using quantum chemical…
In magnetically confined fusion device, the complex, multiscale, and nonlinear dynamics of plasmas necessitate the integration of extensive diagnostic systems to effectively monitor and control plasma behaviour. The complexity and…
Nuclear and particle physics are the core components of most undergraduate and postgraduate physics courses worldwide. While few fundamental concepts like particle counting and detector characterisation are taught in tandem with laboratory…
Robotic systems are typically composed of various subsystems, such as localization and navigation, each encompassing numerous configurable components (e.g., selecting different planning algorithms). Once an algorithm has been selected for a…
The Geant4 toolkit is the leading software for the simulation of particle transport through matter, widely used in nuclear physics, high-energy physics, and medical physics. However, the initial learning curve for new developers can be…
Realistic physical systems are characterised by emergent interactions across multiple length and time scales, posing a significant challenge for predictive machine learning (ML) models. Most scientific ML models focus on a narrow range of…
A chemical reaction network (CRN) is composed of reactions that can be seen as interactions among entities called species, which exist within the system. Endowed with kinetics, CRN has a corresponding set of ordinary differential equations…
Scientific computing can in some sense be distilled to the execution of an application - or rather sets of applications which are combined into complex workflows. Due to the complexity and number both of scientific packages as well as…
Optical Character Recognition (OCR) is an established task with the objective of identifying the text present in an image. While many off-the-shelf OCR models exist, they are often trained for either scientific (e.g., formulae) or generic…
Voltage breakdown in high-voltage pulsed vacuum systems arises from nonlinear multiscale interactions among circuit dynamics, kinetic plasma evolution, and ion-induced secondary electron emission (SEE) at electrode surfaces. Although…
Potential Energy Surfaces (PESs) are an indispensable tool to investigate, characterise and understand chemical and biological systems in the gas and condensed phases. Advances in Machine Learning (ML) methodologies have led to the…
Constant potential methods (CPM) enable computationally efficient simulations of the solid-liquid interface at conducting electrodes in molecular dynamics (MD). They have been successfully used, for example, to realistically model the…
Quantum ESPRESSO is an integrated suite of open-source computer codes for quantum simulations of materials using state-of-the art electronic-structure techniques, based on density-functional theory, density-functional perturbation theory,…
Safe motion planning algorithms are necessary for deploying autonomous robots in unstructured environments. Motion plans must be safe to ensure that the robot does not harm humans or damage any nearby objects. Generating these motion plans…
We present an application, EasyScan_HEP, for connecting programs to scan the parameter space of High Energy Physics (HEP) models using various sampling algorithms. We develop EasyScan_HEP according to the principle of flexibility and…
This work describes a new 1D hybrid approach for modeling atmospheric pressure discharges featuring complex chemistry. In this approach electrons are described fully kinetically using Particle-In-Cell/Monte-Carlo (PIC/MCC) scheme, whereas…
Software-defined networking offers a device-agnostic programmable framework to encode new network functions. Externally centralized control plane intelligence allows programmers to write network applications and to build functional network…
Proton-driven plasma wakefield acceleration allows the transfer of energy from a proton bunch to a trailing bunch of particles, the `witness' particles, via plasma electrons. The AWAKE experiment at CERN is pursuing a demonstration of this…
Advances in Single-vehicle intelligence of automated driving have encountered significant challenges because of limited capabilities in perception and interaction with complex traffic environments. Cooperative Driving Automation~(CDA) has…