Related papers: A computational materials science paradigm for a C…
Undergraduate biochemistry laboratory courses often do not provide students with an authentic research experience, particularly when the express purpose of the laboratory is purely instructional. However, an instructional laboratory course…
Quantum mechanics is a challenging subject, even for advanced undergraduate and graduate students. Here, we discuss the development and evaluation of research-based concept tests for peer instruction as a formative assessment tool in…
Based on a bibliometric analysis of literature from 2005 to 2024, this study reveals that material experience is undergoing a profound transformation characterized by evolving material definitions, methodological advances, and increasing…
The integration of machine learning techniques in materials discovery has become prominent in materials science research and has been accompanied by an increasing trend towards open-source data and tools to propel the field. Despite the…
Continual learning aims to improve the ability of modern learning systems to deal with non-stationary distributions, typically by attempting to learn a series of tasks sequentially. Prior art in the field has largely considered supervised…
Quantum Information Technologies and a Practical Module is a new course we launch at Shanghai Jiao Tong University targeting at the undergraduate students who major in a variety of engineering disciplines. We develop a holistic curriculum…
The chapter supports educators and postgraduate students in understanding the role of simulation in software engineering research based on the authors' experience. This way, it includes a background positioning simulation-based studies in…
University research groups in Computational Science and Engineering (CSE) generally lack dedicated funding and personnel for Research Software Engineering (RSE), which, combined with the pressure to maximize the number of scientific…
Recent advancements in virtual reality (VR) technology have enabled the creation of immersive learning environments that provide engineering students with hands-on, interactive experiences. This paper presents a novel framework for virtual…
With the interactivity and multiple representation features, computer simulations lend itself to the guided inquiry learning. However, these simulations are usually designed for post-elementary students. Thus, the aim of this study is to…
Nuclear materials are often demanded to function for extended time in extreme environments, including high radiation fluxes and transmutation, high temperature and temperature gradients, stresses, and corrosive coolants. They also have a…
To facilitate rational molecular and materials design, this research proposes an integrated computational framework that combines stochastic simulation, ab initio quantum chemistry, and molecular docking. The suggested workflow allows…
Background: Software project management activities help to introduce software process models in Software Engineering courses. However, these activities should be adequately aligned with the learning outcomes and support student's…
Computational physics is an important tool for analysing, verifying, and -- at times -- replacing physical experiments. Nevertheless, simulating quantum systems and analysing quantum data has so far resisted an efficient classical treatment…
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…
New materials have long marked the civilization level, serving as an impetus for technological progress and societal transformation. The classic structure-property correlations were key of materials science and engineering. However, the…
In this paper, we present a machine learning-based data generator framework tailored to aid researchers who utilize simulations to examine various physical systems or processes. High computational costs and the resulting limited data often…
Science is conducted collaboratively, often requiring the sharing of knowledge about computational experiments. When experiments include only datasets, they can be shared using Uniform Resource Identifiers (URIs) or Digital Object…
The ability to perform ab initio molecular dynamics simulations using potential energies calculated on quantum computers would allow virtually exact dynamics for chemical and biochemical systems, with substantial impacts on the fields of…
Computational studies of basic models of strongly-correlated electron systems can provide guidance in the search for new materials as well as insight into the physical mechanisms responsible for their properties. Here, we illustrate this by…