Gaussian-2-Blender is an open-source application programming interface (API) written in Python that allows for the conversion of Gaussian input files to 3D objects of different formats. This new tool was developed in response to the shortcomings of available programs to import Gaussian calculations into augmented reality (AR) or virtual reality…

Enzymes are nature's catalysts, mediating chemical processes in living systems. The study of enzyme function and mechanism includes defining the maximum catalytic rate and affinity for substrate/s (among other factors), referred to as enzyme kinetics. Enzyme kinetics is a staple of biochemistry curricula and other disciplines, from molecular and…

This paper outlines the potential gains for Constructionist research and praxis in modelling that might be obtained by recognising the power of the Patch--a humble computational being in the NetLogo modelling environment that has been overshadowed by its more popular fellow agent, the Turtle. To contextualise this opportunity, I describe how…

Theoretical and practical foundations of basic electrochemical concepts of heterogeneous charge transfer reactions that underline electrochemical processes are presented for their detailed study by undergraduate and postgraduate students. Several simple methods for calculating key variables, such as the half-wave potential, limiting current, and…

The drive in computational methods and more intuitive software has seen a rise in the number of publications in this area in recent years. Computational simulations can be found in many areas of science from computational biology and chemistry to fundamental physics. These may help synthetic chemists in their drug discovery endeavors and…

Over the past half century, computational chemistry has evolved from a niche field to a ubiquitous pillar of modern chemical research. Driven by the increased demand for computational chemistry in research settings, the undergraduate curriculum has evolved alongside to ensure that students are well-equipped for modern research. Toward this end,…

Eleven different laboratory experiments were designed and executed throughout a semester to provide a meaningful research experience for 23 undergraduate biochemistry majors at UTSA. The topic of the semester was based on the idea of exploring new aspects to enhance our understanding of how the human body uses cytochrome P450 enzymes to metabolize…

Computational chemistry instructional activities are often based around students running chemical simulations via a graphical user interface (GUI). GUI-based activities offer many advantages, as they enable students to run chemical simulations with a few mouse clicks. Although these activities are excellent for introducing students to the…

The ancient Greek astronomers devised ingenious methods for measuring the size and distances of the Earth, Moon and Sun. The concepts were beautifully simple and although in most cases could only yield approximate results, they have the advantage that they can be understood by anyone with a basic mathematical background. The emergence of…

Computational and atmospheric chemistry are two important branches of contemporary chemistry. With the present topical nature of climate change and global warming, it is more crucial than ever that students are aware of and exposed to atmospheric chemistry, with an emphasis on how modeling may aid in understanding how atmospherically relevant…

Globalizations across organizations are impacted by economic, political, legal, security, social, cultural, ecological, and technological dimensions among others. This paper presents the readings from relevant articles and studies pertaining to the relationship between technology and its dimensions with globalization. Globalization and…

This paper describes an investigation looking at the underlying mathematics of poker machines. The aim of the investigation is for students to get an appreciation of how poker machines are designed to ensure that in the long-term players will inevitably lose when playing. The first part of this paper describes how students can model a simple poker…

Although there is wide rhetoric that programming should be learnt by all as an element of computational thinking (CT), in practice, it is mostly implemented narrowly as an end in itself consisting of routine practice and traditional testing of the ability to code. This paper discusses a way in which programming could be seen through a wider…

In this paper we present two simulations designed with GeoGebra that illustrate dynamically a key concept in Vector Calculus: line integrals of vector fields, along with other associated mathematical properties and applications. Students are not required to know the GeoGebra environment: a user-friendly interface with buttons, functionalities and…

Gravitational lensing is an interesting phenomenon in astronomy and is most typically given rise to by galaxies. The majority of the matter in a galaxy is thought to be dark matter, and the galactic gravitational lensing effect is mainly caused by dark matter halos. In gravitational lensing-related demonstrations in physics education, the feet of…