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Name Victor Perrone
Organization or Institution University of Florida
Presentation Type Poster
Topic Computational Chemistry
Title

Sapphire: Augmented Reality Molecular Visualization for the Microsoft HoloLens

Author(s)

Victor Perrone, Adrian Roitberg

Author Institution(s)

University of Florida

Abstract

Augmented reality is growing in adoption at a fast pace, and within the next few years it is anticipated that there will be the first public release of an augmented reality-dedicated headset called the HoloLens, developed by Microsoft. Chemical visualization apps exist for virtual reality devices such as the HTC Vive and Oculus Rift, and augmented reality chemical visualization apps exist for smartphones, but none yet exist for an AR-dedicated headset which allow a researcher to open files and view chemical simulations as holograms. There are numerous benefits to using an AR-dedicated headset over other kinds of VR/AR devices, such as the ability to use gestures to interact with the holograms and the ability to still see your surroundings making it better for productive work. Sapphire is an augmented reality app which is inspired in its design by popular molecular visualization software such as VMD and Avogadro. It supports a variety of commonly used filetypes and representation modes, allows for resizing and repositioning holograms, and more. The goal is to create an app which will be commonly used for molecular visualization as it will provide many new features that give it a clear advantage in productivity over other programs. For example, it will have QR code scanning so researchers can share their work with others more easily. Another important goal is to make it possible for researchers to use force fields and other high-speed calculation methods, such as machine learning, to do quick calculations in real-time in the same heart as doing force field calculations in Avogadro.