Related papers: Uploading User-Defined Functions onto the AMIDAS W…
We show that distributed Infrastructure-as-a-Service (IaaS) compute clouds can be effectively used for the analysis of high energy physics data. We have designed a distributed cloud system that works with any application using large input…
The validation and verification of automated driving functions (ADFs) is a challenging task on the journey of making those functions available to the public beyond the current research context. Simulation is a valuable building block for…
We present DEIMoS: Data Extraction for Integrated Multidimensional Spectrometry, a Python application programming interface (API) and command-line tool for high-dimensional mass spectrometry data analysis workflows that offers ease of…
Autonomous embodied agents live on an Internet of multimedia websites. Can they hop around multimodal websites to complete complex user tasks? Existing benchmarks fail to assess them in a realistic, evolving environment for their embodiment…
Defects are a universal feature of crystalline solids, dictating the key properties and performance of many functional materials. Given their crucial importance yet inherent difficulty in measuring experimentally, computational methods…
MilkyWay@home is a volunteer computing project that allows people from every country in the world to volunteer their otherwise idle processors to Milky Way research. Currently, more than 25,000 people (150,000 since November 9, 2007)…
This study employed an artificial intelligence-enhanced molecular simulation framework to enable efficient Path Integral Molecular Dynamics (PIMD) simulations. Owing to its modular architecture and high-throughput capabilities, the…
We present our implementation autoCAS for fully automated multi-configurational calculations, which we also make available free of charge on our webpages. The graphical user interface of autoCAS connects a general electronic structure…
We present the open source Astrophysical Multi-purpose Software Environment (AMUSE, www.amusecode.org), a component library for performing astrophysical simulations involving different physical domains and scales. It couples existing codes…
Formal Methods are mathematically-based techniques for software design and engineering, which enable the unambiguous description of and reasoning about a system's behaviour. Autonomous systems use software to make decisions without human…
Motivation: Peptides have attracted the attention in this century due to their remarkable therapeutic properties. Computational tools are being developed to take advantage of existing information, encapsulating knowledge and making it…
Web applications require access to the file-system for many different tasks. When analyzing the security of a web application, secu- rity analysts should thus consider the impact that file-system operations have on the security of the whole…
Searches for rare nuclear processes, such as neutrinoless double beta-decay and the interactions of WIMP dark matter, are motivating experiments with ever-decreasing levels of radioactive backgrounds. These background reductions are…
We develop a Python-based open-source package to analyze the results stemming from ab initio molecular-dynamics simulations of fluids. The package is best suited for applications on natural systems, like silicate and oxide melts,…
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…
The design of microfluidic devices is a cumbersome and tedious process that can be significantly improved by simulation. Methods based on Computational Fluid Dynamics (CFD) are considered state-of-the-art, but require extensive compute time…
Whilst the need for dark matter was established almost a century ago, only its gravitational interaction has been confirmed so far, allowing for plethora of models for dark matter. The Weakly Interacting Massive Particles (WIMPs) category…
Market-driven software intensive product development companies have been more and more experiencing the problem of feature expansion over time. Product managers face the challenge of identifying and locating the high value features in an…
Computational Fluid Dynamics (CFD) simulations are a very important tool for many industrial applications, such as aerodynamic optimization of engineering designs like cars shapes, airplanes parts etc. The output of such simulations, in…
We introduce a method for the estimation of uncertainties in density-functional-theory (DFT) calculations for atomistic systems. The method is based on the construction of an uncertainty-aware functional distribution (UAFD) in a space…