Virtual Reality Integration Techniques in Computational Materials Research

We recently presented a framework for virtual reality integration into modern computational research techniques. We developed an environment in which one could theoretically view simulations of electron transfer in cytochrome proteins. Here, we actually implemented the simulation using the kinetic Monte Carlo method into the Unity Game Engine, allowing for immersive real-time rendering and manipulation of the protein complex. Furthermore, we ported the same virtual environment to allow for immersive visualization of complex desalination membranes, currently under investigation in materials research.