Abstract
We describe a free-software virtual reality system which provides material scientists with a tool to more easily study simulations of chemical systems at the atomic and molecular levels, and which is compatible with the NOMAD infrastructure (an international, open repository which is developing advanced analysis techniques and contains millions of materials). The system runs on multiple virtual reality hardware, from CAVE-like (CAVE\(^{TM}\) is a trademark of the University of Illinois Board of Trustees. We use the term CAVE to denote the both the original system at Illinois and the multitude of variants developed by multiple organizations.) to phone-based. Informal talks with non-domain experts showed positive responses, and a user study was used to confirm the usefulness of the new system by domain experts.
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Acknowledgements
The project received funding from the European Union’s Horizon 2020 research and innovation program under grant agreement no. 676580 with The Novel Materials Discovery (NOMAD) Laboratory, a European Center of Excellence. The CO\(_2\)+CaO datasets were provided by Sergei Levchenko (Max Planck Society), and the LiF datasets by Caterina Cocci (Humbolt Universität zu Berlin). Figure 2, center and right were provided by Dima Nabok (Humbolt Universität zu Berlin). We would also like to thank the participants in the user study.
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García-Hernández, R.J., Kranzlmüller, D. (2017). Virtual Reality Toolset for Material Science: NOMAD VR Tools. In: De Paolis, L., Bourdot, P., Mongelli, A. (eds) Augmented Reality, Virtual Reality, and Computer Graphics. AVR 2017. Lecture Notes in Computer Science(), vol 10324. Springer, Cham. https://doi.org/10.1007/978-3-319-60922-5_25
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DOI: https://doi.org/10.1007/978-3-319-60922-5_25
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