JANUS: A Multi-modal Foundation Neural Sampler for Disordered Materials

Many problems in disordered materials require sampling beyond fixed composition and volume, where coupled changes in atomic identities and structure create a prohibitively expensive discrete-continuous sampling problem.

Many problems in disordered materials require sampling beyond fixed composition and volume, where coupled changes in atomic identities and structure create a prohibitively expensive discrete-continuous sampling problem. Here we introduce JANUS, a multimodal neural sampler that…