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State-of-the-art experimental imaging and molecular dynamics simulations pose many challenges for effective visualization and analysis due to the growing size, timescale, and complexity of the structures under study. This talk will describe how a variety of new and emerging visualization technologies can be used to address these challenges. This talk will describe our approach to adapt VMD, a widely used molecular visualization and analysis tool, to exploit new rasterization APIs such as EGL and Vulkan, and the NVIDIA OptiX ray tracing API for both interactive and in-situ or post-hoc molecular visualization on workstations, clouds, and supercomputers. Commodity head mounted VR displays (HMDs) offer a tremendous opportunity
to make immersive molecular visualization techniques broadly available to molecular scientists, but they present many performance challenges for both rasterization- and ray tracing-based visualization. We present results from our ongoing work adapting VMD to support popular VR HMDs.
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