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Quantum computing proposes a revolutionary paradigm that can radically transform numerous scientific and industrial application domains. To realize this promise, new capabilities need software solutions that are able to effectively harness…
There has been a large focus in recent years on making assets in scientific research findable, accessible, interoperable and reusable, collectively known as the FAIR principles. A particular area of focus lies in applying these principles…
The analysis of complex multiphysics astrophysical simulations presents a unique and rapidly growing set of challenges: reproducibility, parallelization, and vast increases in data size and complexity chief among them. In order to meet…
We present an open-source software for the simulation of observables in magnetic resonance experiments, including nuclear magnetic/quadrupole resonance NMR/NQR and electron spin resonance (ESR), developed to assist experimental research in…
Grading student assignments in STEM courses is a laborious and repetitive task for tutors, often requiring a week to assess an entire class. For students, this delay of feedback prevents iterating on incorrect solutions, hampers learning,…
Development of models and dedicated numerical methods for dynamics in fractured rocks is an active research field, with research moving towards increasingly advanced process couplings and complex fracture networks. The inclusion of coupled…
Machine-learning interatomic potentials have revolutionized materials modeling at the atomic scale. Thanks to these, it is now indeed possible to perform simulations of \abinitio quality over very large time and length scales. More…
The recent development of a micromagnetic simulation methodology - suitable for multiphase magnetic nanocomposites - permits the computation of the magnetic microstructure and of the associated magnetic small-angle neutron scattering (SANS)…
Simulations of quantum chemistry and quantum materials are believed to be among the most important potential applications of quantum information processors, but realizing practical quantum advantage for such problems is challenging. Here,…
In this paper, we describe how we changed the structure of problem sessions in an algorithmic subject, in order to improve student confidence. The subject in question is taught to very large cohorts of (around 900) students, though our…
This work presents a modular, Python-based simulator that simplifies the evaluation of novel vehicle control and coordination algorithms in complex traffic scenarios while keeping the implementation overhead low. It allows researchers to…
This paper presents an overview of mobile application projects conducted at the RMIT University as a part of the Learning and Teaching activities within Bachelor and Master programs, in collaboration with industrial partners. We discuss the…
From a department being resistant to change to students not buying into the new computational activities, the challenges that are faced with integrating computation into the physics undergraduate curriculum are varied. The Partnership for…
Students taking introductory physics are rarely exposed to computational modeling. In a one-semester large lecture introductory calculus-based mechanics course at Georgia Tech, students learned to solve physics problems using the VPython…
Quantum computing harnesses quantum laws of nature to enable new types of algorithms, not efficiently possible on traditional computers, that may lead to breakthroughs in crucial areas like materials science and chemistry. There is rapidly…
The design of nonlinear superconducting quantum circuits often relies on time-consuming iterative electromagnetic simulations requiring manual intervention. These interventions entail, for example, adjusting design variables such as…
Method names play an important role in communicating the purpose and behavior of their functionality. Research has shown that high-quality names significantly improve code comprehension and the overall maintainability of software. However,…
JuMP is an open-source modeling language that allows users to express a wide range of optimization problems (linear, mixed-integer, quadratic, conic-quadratic, semidefinite, and nonlinear) in a high-level, algebraic syntax. JuMP takes…
This work discusses the design and testing of a new computational spintronics research software. Boris is a comprehensive multi-physics open-source software, combining micromagnetics modelling capabilities with drift-diffusion spin…
Scientific research involves mathematical modelling in the context of an interactive balance between theory, experiment and computation. However, computational methods and tools are still far from being appropriately integrated in the high…