A neural-network temperature classification task plus XAI is used to benchmark 16 structural descriptors for their ability to capture temperature-dependent local order in supercooled water.
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2 Pith papers cite this work. Polarity classification is still indexing.
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cond-mat.soft 2years
2026 2verdicts
UNVERDICTED 2representative citing papers
Non-equilibrium MD simulations show ion-specific shifts in Soret coefficient from thermophilic to thermophobic behavior with rising temperature in alkali halide solutions, linked to water structure and heat of transport.
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Machine learning evaluation of structural descriptors for supercooled water
A neural-network temperature classification task plus XAI is used to benchmark 16 structural descriptors for their ability to capture temperature-dependent local order in supercooled water.
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Thermodiffusion in Aqueous Alkali Halide Solutions from Ambient to Supercooled Conditions: Ion-Specific, Structural, and Mass Effects
Non-equilibrium MD simulations show ion-specific shifts in Soret coefficient from thermophilic to thermophobic behavior with rising temperature in alkali halide solutions, linked to water structure and heat of transport.