In this paper, we present a computational chemistry project that demonstrates the quantum dynamics of a free particle, using both classical and quantum computing algorithms. This project can be used in a computational quantum chemistry course in which the instructor introduces quantum computing. Students write their own programs to simulate the…

Polar research plays a vital role in developing our understanding of Earth's climate system. It is intrinsically interdisciplinary, lending itself to integration into existing undergraduate courses. Here we explore introducing undergraduates to polar research through computational guided inquiry (CGI) modules taught in a variety of courses and…

The QuVis Quantum Mechanics Visualization Project provides freely available research-based interactive simulations with accompanying activities for the teaching and learning of quantum mechanics across a wide range of topics and levels. This article gives an overview of some of the simulations and describes their use in an introductory physical…

Quantum mechanics (QMs) is a foundational subject in many science and engineering fields. It is difficult to teach, however, as it requires a fundamental revision of the assumptions and laws of classical physics and probability. Furthermore, introductory QM courses and texts predominantly focus on the mathematical formulations of the subject and…

We have developed an app for iOS-based smart-phones/tablets that allows a 3-D, complex phase-based colorful visualization of hydrogen atom wave functions. Several important features of the quantum behavior of atomic orbitals can easily be made evident, thus making this app a useful companion in introductory modern physics classes. There are many…

We have designed an exercise suitable for a lab or project in an undergraduate physical chemistry course that creates a Microsoft Excel spreadsheet to calculate the energy of the S[subscript 0] ground electronic state and the S[subscript 1] and T[subscript 1] excited states of H[subscript 2]. The spreadsheet calculations circumvent the…

An applied computational chemistry laboratory exercise is described in which students use modern quantum chemical calculations of chemical shifts to assign the structure of a recently isolated natural product. A pre/post assessment was used to measure student learning gains and verify that students demonstrated proficiency of key learning…

This paper discusses the teaching of basic quantum mechanics in high school. Rather than following the usual formalism, our approach is based on Feynman's path integral method. Our presentation makes use of simulation software and avoids sophisticated mathematical formalism. (Contains 3 figures.)

A hands-on model of scanning tunnelling microscopy (STM) is presented. It uses near-field imaging with sound and computer assisted visualization to create acoustic mappings of resonator arrangements. Due to the (partial) analogy of matter and sound waves the images closely resemble STM scans of atoms. Moreover, the method can be extended to build…

The invention of scanning tunneling microscopy (STM) 30 years ago opened up a visual window to the nano-world and sparked off a bunch of new methods for investigating and controlling matter and its transformations at the atomic and molecular level. However, an adequate theoretical understanding of the method is demanding; STM images can be…

The Association Supporting Computer Users in Education (ASCUE) is a group of people interested in small college computing issues. It is a blend of people from all over the country who use computers in their teaching, academic support, and administrative support functions. Begun in 1968 as the College and University Eleven-Thirty Users' Group…

In this paper, we describe animations and animated visualizations for introductory and intermediate-level quantum mechanics instruction developed at the University of St Andrews. The animations aim to help students build mental representations of quantum mechanics concepts. They focus on known areas of student difficulty and misconceptions by…

Mainly used in the 1960s, bubble chambers played a major role in particle physics. Now replaced with modern electronic detectors, we believe they remain an important didactic tool to introduce particle physics as they provide visual, appealing and insightful pictures. Sadly, this rare type of detector is mostly accessible through open-door events…

For many students, the conceptual learning of quantum mechanics can be rather painful owing to the counter-intuitive nature of quantum phenomena. In order to enhance students' understanding of the odd behaviour of photons and electrons, we introduce a computational simulation of the Mach-Zehnder interferometer, developed by our research group. An…

Various modern electronic structure methods are now days used to teach computational chemistry to undergraduate students. Such quantum calculations can now be easily used even for large size molecules.