Distribution of minerals between casein micelles and the homogeneous serum phase of milk is different for different mammals. Chemical thermodynamics has provided a complete description of mineral distribution in milk and caseins with varying degree of phosphorylation and metal binding capacity. Milk production processes including cooling and heat treatment, acidification, and addition of salts also affect mineral distribution. Quantum mechanical calculations have recently been introduced to dairy science to optimize design of dairy products with improved mineral nutritive value. New roles of citrate and other hydroxycarboxylates in controlling bioavailability of calcium and magnesium have been identified through such calculations.