Immersive Interactive Quantum Mechanics for Teaching and Learning Chemistry

Abstract

The impossibility of experiencing the molecular world with our senses hampers teaching and understanding chemistry because very abstract concepts (such as atoms, chemical bonds, molecular structure, reactivity) are required for this process. Virtual reality, especially when based on explicit physical modeling (potentially in real time), offers a solution to this dilemma. Chemistry teaching can make use of advanced technologies such as virtual-reality frameworks and haptic devices. We show how an immersive learning setting could be applied to help students understand the core concepts of typical chemical reactions by offering a much more intuitive approach than traditional learning settings. Our setting relies on an interactive exploration and manipulation of a chemical system; this system is simulated in real-time with quantum chemical methods, and therefore, behaves in a physically meaningful way.

Classroom Visualization Based on the Relationship between User Roles and Scene Content

“…Reference [14] studied a multi-detail level management method based on 3D R-tree indexing and proved through experimental analysis that its defined parameters can quantitatively adjust the scene complexity and thus adaptively control the detail level of 3D model visualization. For example, [15] proposes a novel application of focus + context scaling technique that can be used to zoom in on navigation paths and their related features in 3D urban environments as a way to effectively reveal the focus area; [16] shows a technique to automatically generate 3D virtual city models and dynamically zoom in on landmark objects. In addition, there are many related studies at home and abroad, but in terms of their research contents and progress, most of them focus on the adaptive strategies of electronic maps or the efficiency of big data display of 3D scenes, and there are fewer studies on 3D visualization for indoor environments [17].…”

“…Reference [3] also elaborates on the definition of ontology, which is a formal normative description of a shared conceptual model. At present, the more mature, commonly used, and wellknown ontology construction tools mainly include Apollo [14], OilEd [16], OntoEdit [18], Prot6g6 [19], and WebODE [19]. Prot6g6, ontology editing and knowledge acquisition software, is open source software developed by Stanford University School of Medicine Bioinformatics Research Center based on Java language, mainly used for the construction of ontologies in the semantic web, and is a common development tool for ontology modeling.…”

Expansive Quantum Mechanical Exploration of Chemical Reaction Paths

“…The degree of immersion can be enhanced by making use of virtual and/or augmented reality technologies. 27,28 3. REFINEMENT OF PATHS AND TRANSITION-STATE STRUCTURES After an initial reaction path has been obtained from either automated or interactive methods, it needs to be refined in such a way that a minimum energy reaction path (MERP) is obtained.…”

Wielding the power of interactive molecular simulations

“…Teaching also immensely benefits from such approaches. 88 The review paper on Haptic-driven Applications to Molecular Modeling provides an overview of haptic-driven molecular modeling software of the last decade that supports IMD and quantum mechanical calculations in addition to molecular docking applications 89,90 that the authors expanded later on. 91 In Table 1, we present a similar summary table.…”

“…By using a haptic pointer with force feedback, the operator can directly manipulate structures in three dimensions and perceive the quantum mechanical response to structural changes as forces. Teaching also immensely benefits from such approaches 88 …”