Daniel Levine(@levine_ds):Today, w/ Andrew Ferguson's group at @UChiPritzker: we're able to simulate entire enzyme systems with explicit solvent (O(100k) atoms) at near-quantum accuracy, matching real experimental measurements for enzyme activity. ~1,000x faster than SOTA QM/MM.

Daniel Levine

@levine_ds

Research Scientist at FAIR (Fundamental AI Research) Chemistry, @AIatMeta @OpenCatalyst

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Daniel Levine@levine_ds

2026.09.10 16:52

Today, w/ Andrew Ferguson's group at @UChiPritzker: we're able to simulate entire enzyme systems with explicit solvent (O(100k) atoms) at near-quantum accuracy, matching real experimental measurements for enzyme activity. ~1,000x faster than SOTA QM/MM.