App-Free Method for Visualization of Polymers in 3D and Augmented Reality

Abstract

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 information regarding their structure can be easily accessed from online databases or obtained through relatively quick calculations. As such, due to a lack of crystallographic and theoretical data available for nonbiological macromolecules, there is a noticeable lack of accessible online tools for the visualization of polymers in 3D. Herein, using a few sample polymers, we showcase a workflow for the generation of 3D models using molecular dynamics and Blender. The 3D structures can then be hosted on p3d.in, where AR models can be generated automatically. Furthermore, the hosted 3D models can then be shared via quick response (QR) codes and used in various settings without the need to download any applications.

Development and Evaluation of a Marker Arrangement-Based Mobile Augmented Reality Application for Learning Covalent and Ionic Bonding in the High School Curriculum

“…However, in most prior studies applying AR to chemical bonding, the entire bond was typically visualized on a marker, which is usually a geometric pattern or a physical object in the real world. − Only a few applications can recognize chemical bonding by arranging markers in which atoms are augmented. However, these applications have some technical limitations.…”

A Mobile Device Application for Visualizing Molecular Symmetry and Orbitals in Augmented Reality

“…With smartphones becoming omnipresent in recent years, there has also been an explosion of educational applications for mobile devices (e.g., smartphones and tablets). − These are capable of capitalizing on an integrated camera and touchscreens which can allow students to interact with the molecular level of chemistry in a novel way . Among the applications available, a number have taken advantage of recent advances in extended reality including augmented reality (AR) where digital elements can be overlaid onto the real-world environment through the device screen. ,,,,− This offers an enhanced and immersive experience, and there is mounting evidence to suggest that AR is a promising pedagogical resource for enhancing student understanding and increasing motivation. ,,,,,− However, to the authors’ knowledge only a few AR applications published to date include some limited aspects of symmetry or orbitals, ,,, with none offering a comprehensive tool for visualizing and teaching these important chemical concepts. Herein we report a free, accessible, and easy-to-use application (app) for visualizing aspects of symmetry and orbitals of simple molecules using augmented reality on a mobile device.…”

Augmented Reality for Enhanced Visualization of MOF Adsorbents

“…AR enhances spatial understanding by enabling visualization and manipulation of complex structures under specific conditions in 3D, offering additional insights when studying structure–property relationships and guest–host interactions. The use of AR has been previously reported for molecular structures using an app, for polymers using an app-free technique, as well as published workflows that build VR models which can also be viewed in AR: these are typically used for educational purposes as a teaching medium. − Here, following the work of Roshandel et al, we developed a protocol for app-free AR models that can be used to display MOFs under adsorption conditions or represent crystal structures in conjunction with their topology which can be viewed using a smartphone running Android or iOS.…”