ArticleThe Journal of chemical physics2022
Nuclear quantum effects on the dynamics and glass behavior of a monatomic liquid with two liquid states.
Article in The Journal of chemical physics, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 papers.
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Who cites it
7 citing papers in PubMed.
- Nuclear Quantum Effects on the Equation of State of Water: Insights from the Potential Energy Landscape Formalism.Journal of chemical theory and computation · 2026Article
- Configurational entropy and Adam-Gibbs relation for quantum liquids.Nature communications · 2026Article
- Isotope-Substitution Effects on the Thermodynamic, Dynamic, and Structural Properties of Water: HThe journal of physical chemistry. B · 2025Article
- Nuclear quantum effects on glassy water under pressure: Vitrification and pressure-induced transformations.The Journal of chemical physics · 2024Article
- Potential energy landscape formalism for quantum molecular liquids.Communications chemistry · 2024Article
- The Harmonic and Gaussian Approximations in the Potential Energy Landscape Formalism for Quantum Liquids.Journal of chemical theory and computation · 2024Article
- The Importance of Nuclear Quantum Effects on the Thermodynamic and Structural Properties of Low-Density Amorphous Ice: A Comparison with Hexagonal Ice.The journal of physical chemistry. B · 2023Article
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Authors and funding
3 authors.
Funding
Abstract
We perform path integral molecular dynamics (PIMD) simulations of a monatomic liquid that exhibits a liquid-liquid phase transition and liquid-liquid critical point. PIMD simulations are performed using different values of Planck's constant h, allowing us to study the behavior of the liquid as nuclear quantum effects (NQE, i.e., atoms delocalization) are introduced, from the classical liquid (h = 0) to increasingly quantum liquids (h > 0). By combining the PIMD simulations with the ring-polymer molecular dynamics method, we also explore the dynamics of the classical and quantum liquids. We find that (i) the glass transition temperature of the low-density liquid (LDL) is anomalous, i.e., T
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