Modeling Study on Liquid Water

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Modeling Study on Liquid Water 

A modeling study on liquid water focuses on simulating and analyzing the physical and chemical behavior of water molecules in the liquid phase using computational techniques. These studies aim to understand the structural, dynamical, and thermodynamic properties of water at the molecular level, including hydrogen bonding, density anomalies, diffusion, and phase behavior. Advanced methods such as molecular dynamics (MD), ab initio simulations, and density functional theory (DFT) are often employed to capture the complexity of water's behavior under various temperature and pressure conditions. These insights are critical for applications in climate science, biology, chemistry, and materials research. 

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