Computational study demonstrates deterministic polynomial-time evaluation of multi-scale biomolecular dynamics, indicating a bypass to stochastic trajectory integration bottlenecks.
Large-scale biomolecular dynamics and multiphase fluid flows are bottlenecked by extreme timescale separations and spatial interface singularities. Stochastic trajectory integration fails due to multi-valley free energy barriers and VFT relaxation divergences. This paper presents a unified framework combining Advanced Rough Calculus (ARC) and the V94-PhaseField Matter Generator. ARC regularizes interface singularities into bounded polynomial operators, while ROA spectral collapse bypasses stochastic trajectory integration, enabling deterministic polynomial-time evaluation of multi-scale dynamics.
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Seonggil Lee (2026) studied this question.
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