Related papers: BOUT++: Recent and current developments
Molecular dynamics is widely used to study various phenomena, such as diffusion, shock wave propagation, and plasma dynamics. A wide range of software packages supports the expanding scope of molecular dynamics applications. However, the…
Many interesting phenomena are characterized by the complex interaction of different physical processes, each often best modeled numerically via a specific approach. In this paper, we present the design and implementation of an…
We present the FreeGSNKE Pulse Design Tool (FPDT), an open-source, Python-based computational framework that enables in silico testing and predictive design of tokamak plasma scenarios and control strategies. The FPDT couples the FreeGSNKE…
The molecular simulations solve the equation of motion of molecular systems, making 3D shapes of molecules four-dimensional by adding the time coordinate. These methods have a great potential in drug discovery because they can realistically…
The application of Large Language Models (LLMs) for Automated Algorithm Discovery (AAD), particularly for optimisation heuristics, is an emerging field of research. This emergence necessitates robust, standardised benchmarking practices to…
Harnessing modern parallel computing resources to achieve complex multi-physics simulations is a daunting task. The Multiphysics Object Oriented Simulation Environment (MOOSE) aims to enable such development by providing simplified…
With the rising imaging resolution of handheld devices, existing multi-exposure image fusion algorithms struggle to generate a high dynamic range image with ultra-high resolution in real-time. Apart from that, there is a trend to design a…
Development and operation of commercially viable fusion energy reactors such as tokamaks require accurate predictions of plasma dynamics from sparse, noisy, and incomplete sensors readings. The complexity of the underlying physics and the…
We present our recent code modernizations of the of the ab initio molecular dynamics program CPMD (www.cpmd.org) with a special focus on the ultra-soft pseudopotential (USPP) code path. Following the internal instrumentation of CPMD, all…
Grid decarbonization for climate change requires dispatchable carbon-free energy like nuclear fusion. The tokamak concept offers a promising path for fusion, but one of the foremost challenges in implementation is the occurrence of…
Recent advances in large-scale pre-trained Electroencephalogram (EEG) models have shown great promise, driving progress in Brain-Computer Interfaces (BCIs) and healthcare applications. However, despite their success, many existing…
Quantum computing has garnered attention for its potential to solve complex computational problems with considerable speedup. Despite notable advancements in the field, achieving meaningful scalability and noise control in quantum hardware…
Quadratic Unconstrained Binary Optimization (QUBO) is recognized as a unifying framework for modeling a wide range of problems. Problems can be solved with commercial solvers customized for solving QUBO and since QUBO have degree two, it is…
We present the first version of the QEngine, an open-source C++ library for simulating and controlling ultracold quantum systems using optimal control theory (OCT). The most notable systems presented here are Bose-Einstein condensates,…
We attempt the use of a unitary operator to approximate the lattice Boltzmann collision operator. We use a modified amplitude encoding to bypass the renormalization that would have required classical processing at every step (thus eroding…
The advent of hybrid computing platforms consisting of quantum processing units integrated with conventional high-performance computing brings new opportunities for algorithm design. By strategically offloading select portions of the…
For simulating incompressible flows by projection methods. it is generally accepted that the pressure-correction stage is the most time-consuming part of the flow solver. The objective of the present work is to develop a fast hybrid…
Realizing large-scale quantum advantage is expected to require quantum error correction (QEC), making the compilation and optimization of logical operations a critical area of research. Logical computation imposes distinct constraints and…
Energetic particle (EP) driven instabilities will be of strongly increased relevance in future burning plasmas as the EP pressure will be very large compared to the thermal plasma. Understanding the interaction of EPs and bulk plasma is…
Boiling is a complex phenomenon where different non-linear physical interactions take place and for which the quantitative modeling of the mechanism involved is not fully developed yet. In the last years, many works have been published…