Thursday, March 26, 2020

Accelerating SARS-COv2 Molecular Dynamics Studies with Optical Random Features

** Nuit Blanche is now on Twitter: @NuitBlog **

We just published a new blog post at LightOn. This time, we used LightOn's Optical Processing Unit to show how our hardware can help in speeding up global sampling studies that are using Molecular Dynamics simulations, such as in the case of metadynamics. Our engineer, Amélie Chatelain wrote a blog post about it and it is here: Accelerating SARS-COv2 Molecular Dynamics Studies with Optical Random Features

We showed that LightOn's OPU, in tandem with the NEWMA algorithm, becomes very interesting (compared to CPU implementations of Random Fourier Features and FastFood) for simulations featuring more than 4 000 atoms.

Because building computational hardware makes no sense if we don't have a community that lifts us, the code used to generate the plots in that blog post is publicly available at the following link:

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