In computational chemistry, a water model is used to simulate and thermodynamically calculate water clusters, liquid water, and aqueous solutions with explicit solvent, often using molecular dynamics or Monte Carlo methods. The models describe intermolecular forces between water molecules and are determined from quantum mechanics, molecular mechanics, experimental results, and these combinations.
In computational chemistry, a water model is used to simulate and thermodynamically calculate water clusters, liquid water, and aqueous solutions with explicit solvent, often using molecular dynamics or Monte Carlo methods. The models describe intermolecular forces between water molecules and are determined from quantum mechanics, molecular mechanics, experimental results, and these combinations.
Source: Wikipedia "Water model" · CC BY-SA 4.0
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