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Thermodynamic models are often vital when characterising complex systems, particularly natural gas, electrolyte, polymer, pharmaceutical and biological systems. However, their implementations have historically been abstruse and cumbersome,…

Combustion kinetic modeling is an integral part of combustion simulation, and extensive studies have been devoted to developing both high fidelity and computationally affordable models. Despite these efforts, modeling combustion kinetics is…

We introduce the idea of weakly coherent collisional models, where the elements of an environment interacting with a system of interest are prepared in states that are approximately thermal, but have an amount of coherence proportional to a…

This Colloquium is a fast journey through the build-up of key thermodynamical concepts, i.e. work, heat and irreversibility -- and how they relate to information. Born at the time of industrial revolution to optimize the exploitation of…

One of the most promising suggested applications of quantum computing is solving classically intractable chemistry problems. This may help to answer unresolved questions about phenomena like: high temperature superconductivity, solid-state…

This book provides an introduction to the emerging field of quantum thermodynamics, with particular focus on its relation to quantum information and its implications for quantum computers and next generation quantum technologies. The text,…

Accurate and efficient methods to simulate nonadiabatic and quantum nuclear effects in high-dimensional and dissipative systems are crucial for the prediction of chemical dynamics in condensed phase. To facilitate effective development,…

Computation is a central aspect of modern science and engineering work, and yet, computational instruction has yet to fully pervade university STEM curricula. In physics, we have begun to integrate computation into our courses in a variety…

Numerical investigations are an important research tool in quantum information theory. There already exists a wide range of computational tools for quantum information theory implemented in various programming languages. However, there is…

Technology is currently ubiquitous and is also part of the educational system at all levels. It started with communication technology systems, and later continued with digital competence. Nowadays, although these previous concepts are still…

There is a growing consensus that physics majors need to learn computational skills, but many departments are still devoid of computation in their physics curriculum. Some departments may lack the resources or commitment to create a…

Modeling of fluid flows requires corresponding adequate and effective approaches that would account for multiscale nature of the considered physics. Despite the tremendous growth of computational power in the past decades, modeling of fluid…

Much of the research done by modern physicists would be impossible without the use of computation. And yet, while computation is a crucial tool of practicing physicists, physics curricula do not generally reflect its importance and utility.…

Thermodynamics (in concert with its sister discipline, statistical physics) can be regarded as a data reduction scheme based on partitioning a total system into a subsystem and a bath that weakly interact with each other. The ubiquity and…

Undergraduate programs in science and engineering include at least one course in basic programming, but seldom presented in a contextualized format, where computing is a tool for thinking and learning in the discipline. We have created a…

Computation is becoming an increasingly important part of physics education. However, there are currently few theories of learning that can be used to help explain and predict the unique challenges and affordances associated with…

We introduce ReservoirComputing.jl, an open source Julia library for reservoir computing models. The software offers a great number of algorithms presented in the literature, and allows to expand on them with both internal and external…

The paper describes two general problems encountered in computational assignments at the introductory level. First, novice students often treat computer code as almost magic incantations, and like novices in many fields, have trouble…

This document explores the potential of quantum computing in Thermal Science. Conceived as a living document, it will be continuously updated with experimental findings and insights for the research community in Thermal Science. By…

Simulation of non-adiabatic dynamics of a quantum system coupled to dissipative environments poses significant challenges. New sophisticated methods are regularly being developed with an eye towards moving to larger systems and more…