Search Results for author: Vasily Bulatov

Found 2 papers, 2 papers with code

Score dynamics: scaling molecular dynamics with picoseconds timestep via conditional diffusion model

1 code implementation2 Oct 2023 Tim Hsu, Babak Sadigh, Vasily Bulatov, Fei Zhou

Our current SD implementation is about two orders of magnitude faster than the MD counterpart for the systems studied in this work.

Denoising

Score-based denoising for atomic structure identification

1 code implementation5 Dec 2022 Tim Hsu, Babak Sadigh, Nicolas Bertin, Cheol Woo Park, James Chapman, Vasily Bulatov, Fei Zhou

We propose an effective method for removing thermal vibrations that complicate the task of analyzing complex dynamics in atomistic simulation of condensed matter.

Denoising Template Matching

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