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At the beginning, programming was inspired by the search of the best solutions. At that time some fundamental stones like famous languages and object oriented and structured programming were laid. It was found later that applications could…

Software is the key crosscutting technology that enables advances in mathematics, computer science, and domain-specific science and engineering to achieve robust simulations and analysis for science, engineering, and other research fields.…

Excellent computer simulations are done for a purpose. The most valid purposes are to explore uncharted territory, to resolve a well-posed scientific or technical question, or to make a design choice. Stand-alone modeling can serve the…

Modern science is relying on software more than ever. The behavior and outcomes of this software shape the scientific and public discourse on important topics like climate change, economic growth, or the spread of infections. Most…

A suite of impressive scientific discoveries have been driven by recent advances in artificial intelligence. These almost all result from training flexible algorithms to solve difficult optimization problems specified in advance by teams of…

We introduce a newly designed undergraduate-level interdisciplinary course in scientific computing that aims to prepare students as the next generation of research-oriented computational scientists and engineers. The course offers students…

Scientists across disciplines write code for critical activities like data collection and generation, statistical modeling, and visualization. As large language models that can generate code have become widely available, scientists may…

Research software -- specialist software used to support or undertake research -- is of huge importance to researchers. It contributes to significant advances in the wider world and requires collaboration between people with diverse skills…

We discuss several aspects of creation of adequate mathematical models in other sciences. In particular, many difficulties stem from great complexity of the source systems and the presence of a variety of uncertain factors. We illustrate…

Computer programs may go wrong due to exceptional behaviors, out-of-bound array accesses, or simply coding errors. Thus, they cannot be blindly trusted. Scientific computing programs make no exception in that respect, and even bring…

Context: Scientific software plays an important role in critical decision making, for example making weather predictions based on climate models, and computation of evidence for research publications. Recently, scientists have had to…

Scientific computation is a discipline that combines numerical analysis, physical understanding, algorithm development, and structured programming. Several yottacycles per year on the world's largest computers are spent simulating problems…

One purpose -- quite a few thinkers would say the main purpose -- of seeking knowledge about the world is to enhance our ability to make good decisions. An item of knowledge that can make no conceivable difference with regard to anything we…

Writing complex computer programs to study scientific problems requires careful planning and an in-depth knowledge of programming languages and tools. In this chapter the importance of using the right tool for the right problem is…

It is the role of the scientific community to provide for the knowledge of scientific facts and technical capabilities as a background for political decision-making. The reasons are given why governments are sometimes not ready to accept…

Probabilistic programming is a growing area that strives to make statistical analysis more accessible, by separating probabilistic modelling from probabilistic inference. In practice this decoupling is difficult. No single inference…

The generation of comprehensible explanations is an essential feature of modern artificial intelligence systems. In this work, we consider probabilistic logic programming, an extension of logic programming which can be useful to model…

Over the last few decades, the nature of scientific research has changed in response to external influences. Firstly, powerful networked computers have become a standard tool. Secondly, society presses ever harder for research to deliver…

Modern science, technology, and politics are all permeated by data that comes from people, measurements, or computational processes. While this data is often incomplete, corrupt, or lacking in sufficient accuracy and precision, explicit…

Computer programs are part of our daily life, we use them, we provide them with data, they support our decisions, they help us remember, they control machines, etc. Programs are made by people, but in most cases we are not their authors, so…