Materials VR PC

Interact with molecular models in virtual reality through MaterialsVR. Select a molecule from the menu and access its toolbar to enable rotation, remove the bounding box, or position a plane that cuts through the structure. Set the plane as a cross-section view to render only meshes on one side. Switch to isosurfaces via the molecule title bar and load CHGCAR files to visualize electron density. Adjust isosurface levels directly in the toolbar for precise inspection. This simulation utility suits researchers, students, and educators exploring molecular structures in VR on PC.

MaterialsVR lets you interact with molecular models in Virtual Reality. Add planes to create cross section. See electron density isosurfaces and load your own CHGCAR files.

Features

• Toolbar

Start by selecting a molecule from the menu. Each model is accompanied by a toolbar above. Use it to enable rotation, disable bounding box, or add a plane that intersects with the molecule.

• Cross Section View

You can set a plane to be the cross section plane by clicking the button on top. Only meshes on one side of the plane will be rendered.

• Electron density

Click on the "Molecule" title bar to switch to isosurfaces. From there, you may select a isosurface model generated from CHGCAR files. You can modify the isosurface level in the toolbar.

Acknowledgement

We acknowledge contributions by (in alphabetical order) Siddharth Ahuja, Emi Caroline Brown, Andong Jing, Sean Lin, Qiaoqian Lin, Noah Rebei, Sujay Shah, Zekun Wei, Jinlin Xu, Zhongshen Zeng, and Xusheng Zhang and support from the NCSA SPIN program, the NSF REU INCLUSION (grant No. OAC-1659702), and the NSF CAREER grant No. DMR-1555153 for support.