A downloadable tool for Windows

Explore rigorous molecular simulations using interactive molecular dynamics (iMD), and see how quickly you can accomplish different molecular tasks, as described in the arXiv paper Sampling molecular conformations and dynamics in a multi-user virtual reality framework.

Start out playing with some flexible Buckminster-fullerene molecules to get a feel for how the molecular interaction works.

Then try some more complicated tasks, including:

  • Threading methane through a carbon nanotube
  • Changing the screw-sense of an organic helicene molecule 
  • Tying a knot in a small 17-ALA protein 

Interaction with the molecular simulations is possible on Windows PCs (using either mouse/trackpad or HTC Vive), and on Android touchscreens. In each case, the scientific simulations are run in real-time on a remote cloud server.

Please feel free to share Nano Simbox iMD with friends, colleagues and media. Please do credit our images if you wish to use them for any publicity. Thank you. 


Windows HTC Vive VR (ZIP) 32 MB
Windows (ZIP) 29 MB
Molecular VR Academic Paper 1 MB


Log in with itch.io to leave a comment.

(1 edit)

Hi my friends! Can you please make this available in the Oculus store? https://www.oculus.com/experiences/

You can charge good money for that to fund further development.

Hey there, this looks like a really cool tool. I was wondering if it was possible to use this to check if molecules are quantum critical. And if not, if you could add this feature to the program.

Extended Huckel Method: https://en.wikipedia.org/wiki/Extended_H%C3%BCckel_method

Planning to do a research project similar to this: https://medium.com/the-physics-arxiv-blog/the-origin-of-life-and-the-hidden-role...