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…

The Databank of Dynamics Trajectories (DDT, notthatddt.org) was established to assist students in visualizing the dynamical behaviors occurring during chemical reactions and conformational changes, with a focus on processes taught in introductory organic chemistry classes. Animations of reacting molecules created using "ab initio"…

The rise of virtual and online education in recent years has led to the development and popularization of many online tools, notably three-dimensional (3D) models and augmented reality (AR), for visualizing various structures in chemical sciences. The majority of the developed tools focus on either small molecules or biological systems, as…

Interactive molecular dynamics in virtual reality (IMD-VR) simulations provide a digital molecular playground for students as an alternative or complement to traditional molecular modeling kits or 2D illustrations. Previous IMD-VR studies have used molecular mechanics to enable simulations of macromolecules such as proteins and nanostructures for…

As part of COVID-19 preparedness, a student-developed, Android-based app was used as a pre-laboratory learning aid for a molecular modeling laboratory in a first-year general chemistry course. A worksheet activity with trigger codes and questions related to spatial features of transition metal complexes was designed. Using the Transition Metal…

Given the importance of self-healing polymers for chemistry education, herein, we introduce our latest research results in self-healing materials based on thioctic acid into undergraduate chemistry laboratory. In this experiment, a natural small molecule, thioctic acid (TA), and a few other commercially-available reagents have been used to make a…

Industrial drug discovery teams encompass scientists from multiple specialties and require participants to communicate effectively across disciplinary boundaries. In this paper, we present an undergraduate or graduate classroom simulation of this environment. Over a series of five workshops, student teams of mixed scientific backgrounds perform…

Visualization can be a motivating way to teach students about molecules. Nowadays, the available experimental data and accurate computational results allow students to build realistic and accurate molecular models. These models include the representation of complex systems such as proteins, membranes, or nanotubes. However, the visualization of…

Augmented/virtual realities (ARs/VRs) promise to revolutionize STEM education. However, most easy-to-use tools are limited to static visualizations, which limits the approachable content, whereas more interactive and dynamic alternatives require costly hardware, preventing large-scale use and evaluation of pedagogical effects. Here, we introduce…

Molecular symmetry and orbitals are two important chemical concepts which can be difficult for students to visualize in three dimensions; as such, instructors have traditionally adopted a variety of approaches to teach them including the use of physical models and digital renderings/resources. This paper describes a new mobile device application…

The growing popularity of flipped, blended, and online learning, combined with the need to support a student population with increasingly diverse backgrounds, has led to the development and use of online materials to support students' learning of chemistry outside of a face-to-face classroom. Chemistry simulations provide opportunities to make…

An augmented reality (AR) application and an activity worksheet have been developed to support students in visualizing the concepts involved when solving [superscript 1]H NMR problems. This instructional resource was designed to encourage conceptual problem-solving and prevent memorization by eliminating the use of chemical shift tables. It uses…

Facile visualization of biomolecules is an essential component of the undergraduate biochemistry curriculum. In the past, a number of tools have been used to display biomolecules. More recently, the advent of greater accessibility to virtual reality (VR) and augmented reality (AR) programs has created a new mechanism to visualize biomolecules.…

Three-dimensional visualization of molecular simulations in virtual reality (VR) is an emerging teaching tool in chemical education. This work describes a VR application which can generate a 3D molecular dynamics (MD) simulation from arbitrary molecular structures and renders that MD simulation trajectory on a VR headset in real-time. This system…

Selecting less hazardous chemicals is a core tenet of green chemistry but is difficult to teach in practice. The upper-year undergraduate or graduate level exercise described here empowers students to make such decisions themselves. Students are tasked with finding the greenest chemical for a specific purpose described in a hypothetical scenario,…