2018/06/21 by Luciano A. Abriata, Abriata, Luciano A.
Computer Science · Decision Sciences · #Augmented Reality Applications #Biological Physics (physics.bio-ph) #Biomolecules (q-bio.BM) #Emerging Technologies (cs.ET) #FOS: Biological sciences #FOS: Computer and information sciences #FOS: Physical sciences #Human-Computer Interaction (cs.HC) #Multimedia (cs.MM) #Scientific Computing and Data Management #Virtual Reality Applications and Impacts
paper · pdf · doi:10.48550/arxiv.1806.08332
openalex publication_date 2018/06/21 · openalex created_date 2018/06/29 · openalex updated_date 2026/07/28
This article reports prototype web apps that use commodity, open-source technologies for augmented and virtual reality to provide immersive, interactive human-computer interfaces for chemistry, structural biology and related disciplines. The examples, which run in any standard web browser and are accessible at https://lucianoabriata.altervista.org/jsinscience/arjs/armodeling/ together with demo videos, showcase applications that could go well beyond pedagogy, i.e. advancing actual utility in research settings: molecular visualization at atomistic and coarse-grained levels in interactive immersive 3D, coarse-grained modeling of molecular physics and chemistry, and on-the-fly calculation of experimental observables and overlay onto experimental data. From this playground, I depict perspectives on how these emerging technologies might couple in the future to neural network-based quantum mechanical calculations, advanced forms of human-computer interaction such as speech-based communication, and sockets for concurrent collaboration through the internet -all technologies that are today maturing in web browsers- to deliver the next generation of tools for truly interactive, immersive molecular modeling that can streamline human thought and intent with the numerical processing power of computers.