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Quantum simulators are a foundational component of the quantum software ecosystem. They are widely used to develop and debug quantum programs, validate compiler transformations, and support empirical claims about correctness and…
Much of our mechanistic understanding of the functions of biological macromolecules is based on static structural experiments, which can be modelled either as single structures or conformational ensembles. While these provide us with…
Understanding the inner mechanisms of black-box foundation models (FMs) is essential yet challenging in artificial intelligence and its applications. Over the last decade, the long-running focus has been on their explainability, leading to…
We offer an insight into our mathematical endeavors, which aim to advance the foundational understanding of energy systems in a broad context, encompassing facets such as charge transport, energy storage, markets, and collective behavior.…
The determination of environmentally- and economically-optimal energy system designs and operations is complex. In particular, the integration of weather-dependent renewable energy technologies into energy system optimization models…
The rapid emergence of hydrogen in long-term energy strategies requires a broad understanding on how hydrogen is currently modelled in national energy system models. This study provides a review on hydrogen representation within selected…
An open-source, physics-based tropical cyclone downscaling model is developed, in order to generate a large climatology of tropical cyclones. The model is composed of three primary components: (1) a random seeding process that determines…
The development of energy systems is not a technocratic process but equally shaped by societal and cultural forces. Key instruments in this process are model-based scenarios describing a future energy system. Applying the concept of…
Cancer is a complex disease that is characterized by uncontrolled growth and division of cells. It involves a complex interplay between genetic and environmental factors that lead to the initiation and progression of tumors. Recent advances…
Control systems on unmanned vehicles are safety-critical systems whose requirements on reliability and safety are ever-increasing. Currently, testing a complex autonomous control system is an expensive and time-consuming process, which…
The simulation of high-energy physics collision events is a key element for data analysis at present and future particle accelerators. The comparison of simulation predictions to data allows looking for rare deviations that can be due to…
For autonomous vehicles, safe navigation in complex environments depends on handling a broad range of diverse and rare driving scenarios. Simulation- and scenario-based testing have emerged as key approaches to development and validation of…
As artificial intelligence becomes increasingly prevalent in scientific research, data-driven methodologies appear to overshadow traditional approaches in resolving scientific problems. In this Perspective, we revisit a classic…
The treatment of nuclear effects in neutrino-nucleus interactions is one of the main sources of systematic uncertainty for the analysis and interpretation of data of neutrino oscillation experiments. Neutrinos interact with nuclei via…
Ecosystem approach to fisheries requires a thorough understanding of fishing impacts on ecosystem status and processes as well as predictive tools such as ecosystem models to provide useful information for management. The credibility of…
In this letter, we describe and develop edge-based and node-based formulations for combined-cycle units (CCUs) with different levels of accuracy in respecting physical restrictions of each turbine, from no restriction requirement of each…
The advent of increasingly complex and dynamic ecosystems, such as digital twins (DT), smart cities and Industry 4.0 and 5.0, has made evident the need to include modeling and simulation (M&S) in the software development life cycle. Such…
The role of scalable high-performance workflows and flexible workflow management systems that can support multiple simulations will continue to increase in importance. For example, with the end of Dennard scaling, there is a need to…
Computer models are widely used to study complex real world physical systems. However, there are major limitations to their direct use including: their complex structure; large numbers of inputs and outputs; and long evaluation times.…
The emergence of quantum computing has introduced a revolutionary paradigm capable of transforming numerous scientific and industrial sectors. Nevertheless, realizing the practical utilization of quantum software in real-world applications…