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The realization of novel technological opportunities given by computational and autonomous materials design requires efficient and effective frameworks. For more than two decades, aflow++ (Automatic-Flow Framework for Materials Discovery)…
Digital sculpting is a popular means to create 3D models but remains a challenging task for many users. This can be alleviated by recent advances in data-driven and procedural modeling, albeit bounded by the underlying data and procedures.…
AI has the potential to improve approaches to talent management enabling dynamic provisions through implementing advanced automation. This study aims to identify the new requirements for developing AI-oriented artifacts to address talent…
Mixed atomistic and continuum methods offer the possibility of carrying out simulations of material properties at both larger length scales and longer times than direct atomistic calculations. The quasi-continuum method links atomistic and…
The goal of cooperative verification is to combine verification approaches in such a way that they work together to verify a system model. In particular, cooperative verifiers provide exchangeable information (verification artifacts) to…
3D objects (artefacts) are made to fulfill functions. Designing an object often starts with defining a list of functionalities that it should provide, also known as functional requirements. Today, the design of 3D object models is still a…
When automatically generating programming exercise tasks one often also needs to automatically generate programs. At the very least when providing sample solutions is part of automated feedback. But programs can also be used as part of the…
Scanning transmission electron microscopy (STEM) is now the primary tool for exploring functional materials on the atomic level. Often, features of interest are highly localized in specific regions in the material, such as ferroelectric…
Input devices, such as buttons and sliders, are the foundation of any interface. The typical user-centered design workflow requires the developers and users to go through many iterations of design, implementation, and analysis. The…
Software processes improvement (SPI) is a challenging task, as many different stakeholders, project settings, and contexts and goals need to be considered. SPI projects are often operated in a complex and volatile environment and, thus,…
Progress in science is deeply bound to the effective use of high-performance computing infrastructures and to the efficient extraction of knowledge from vast amounts of data. Such data comes from different sources that follow a cycle…
To extract value from evergrowing volumes of data, coming from a number of different sources, and to drive decision making, organizations frequently resort to the composition of data processing workflows, since they are expressive,…
Computational Science on large high performance computing resources is hampered by the complexity of these systems. Much of this complexity is due to low-level details on these resources that are exposed to the application and the end user.…
Numerical simulations of plasma flows are crucial for advancing our understanding of microscopic processes that drive the global plasma dynamics in fusion devices, space, and astrophysical systems. Identifying and classifying particle…
Microfluidic devices have been the subject of considerable attention in recent years. The development of novel microfluidic devices, their evaluation, and their validation requires simulations. While common methods based on Computational…
Computational modeling is becoming a widely used methodology in modern neuroscience. However, as the complexity of the phenomena under study increases, the analysis of the results emerging from the simulations concomitantly becomes more…
Distributed collaborative software development tends to make artifacts and decisions inconsistent and uncertain. We try to solve this problem by providing an information repository to reflect the state of works precisely, by managing the…
A self-learning optimal control algorithm for episodic fixed-horizon manufacturing processes with time-discrete control actions is proposed and evaluated on a simulated deep drawing process. The control model is built during consecutive…
Real-time simulation of elastic structures is essential in many applications, from computer-guided surgical interventions to interactive design in mechanical engineering. The Finite Element Method is often used as the numerical method of…
Scientific workflows have become integral tools in broad scientific computing use cases. Science discovery is increasingly dependent on workflows to orchestrate large and complex scientific experiments that range from execution of a…