Related papers: A Modular and Extensible Software Architecture for…
Direct design of complex functional materials would revolutionize technologies ranging from printable organs to novel clean energy devices. However, even incremental steps towards designing functional materials have proven challenging. If…
Warm dense matter systems created in the laboratory are highly dynamical. In such cases electron dynamics is often needed to accurately simulate the evolution and properties of the system. Large systems force one to make simple…
Designing programming environments for physical simulation is challenging because simulations rely on diverse algorithms and geometric domains. These challenges are compounded when we try to run efficiently on heterogeneous parallel…
As the Science Mission Directorate contemplates establishing an open code policy, we consider it timely to share our experiences as the developers of the open-source partial differential equation solver Dedalus. Dedalus is a flexible…
Implementing large software, as software analyzers which aim to be used in industrial settings, requires a well-engineered software architecture in order to ease its daily development and its maintenance process during its lifecycle. If the…
The optimization of large experiments in fundamental science, such as detectors for subnuclear physics at particle colliders, shares with the optimization of complex systems for industrial or societal applications the common issue of…
In real-world machine learning deployments, models must be continually updated, composed, and when required, selectively undone. However, existing approaches to model merging and continual learning often suffer from task interference,…
This article reports about a novel extension of dissipative particle dynamics (DPD) that allows the study of the collective dynamics of complex chemical and structural systems in a spatially resolved manner with a combinatorially complex…
The electrical and electronic engineering has used parallel programming to solve its large scale complex problems for performance reasons. However, as parallel programming requires a non-trivial distribution of tasks and data, developers…
Assembly systems constitute one of the most important fields in today industry. In this paper we propose an open distributed architecture for the engineering of evolvable flexible hybrid assembly systems. The proposed architecture is based…
Natural organisms utilize distributed actuation through their musculoskeletal systems to adapt their gait for traversing diverse terrains or to morph their bodies for varied tasks. A longstanding challenge in robotics is to emulate this…
Multiphysics incompressible fluid dynamics simulations play a crucial role in understanding intricate behaviors of many complex engineering systems that involve interactions between solids, fluids, and various phases like liquid and gas.…
In research labs, there is often a need to customise software at every step in a given bioinformatics workflow, but traditionally it has been difficult to obtain both a high degree of customisability and good performance.…
Numerical studies of shock waves in large scale systems via kinetic simulations with millions of particles are too computationally demanding to be processed in serial. In this work we focus on optimizing the parallel performance of a…
Specialized Deep Learning (DL) acceleration stacks, designed for a specific set of frameworks, model architectures, operators, and data types, offer the allure of high performance while sacrificing flexibility. Changes in algorithms,…
In the last few years, Model Driven Development (MDD), Component-based Software Development (CBSD), and context-oriented software have become interesting alternatives for the design and construction of self-adaptive software systems. In…
Particle-in-cell merging algorithms aim to resample dynamically the six-dimensional phase space occupied by particles without distorting substantially the physical description of the system. Whereas various approaches have been proposed in…
We present exa-AMD, an open-source, high-performance framework designed for accelerated materials discovery on modern supercomputers. exa-AMD overcomes key computational bottlenecks in large-scale structure prediction through task-based…
In order to allow different software applications, in constant evolution, to interact and exchange data, flexible file formats are needed. A file format specification for different types of content has been elaborated to allow communication…
Optimal multiple sequence alignment by dynamic programming, like many highly dimensional scientific computing problems, has failed to benefit from the improvements in computing performance brought about by multi-processor systems, due to…