ArticleJournal of chemical theory and computation2026
Nuclear Quantum Effects on the Equation of State of Water: Insights from the Potential Energy Landscape Formalism.
Article in Journal of chemical theory and computation, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.
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Who cites it
1 citing paper in PubMed.
- Nuclear Quantum Effects Reshape Structural Signatures of Supercooled Water near the Liquid-Liquid Critical Region.The journal of physical chemistry. B · 2026Article
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Authors and funding
3 authors.
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Abstract
We apply the potential energy landscape (PEL) formalism for quantum liquids, together with path-integral (PI) computer simulations, to derive the equation of state (EOS) for both equilibrium and supercooled water over a wide range of temperatures and pressures. The PEL-EOS for water, which includes nuclear quantum effects (NQE), is in very good agreement with the PI computer simulations, particularly in the proximity of water's liquid-liquid critical point (LLCP). Relative to the classical case, including NQE shifts the overall phase diagram of water toward lower temperatures and slightly lower pressures. In particular, the LLCP temperature and pressure are shifted by Δ
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