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BIOVIA COSMOtherm is an industry-standard software tool used for predicting the thermodynamic properties of liquids. Developed originally by COSMOlogic and now managed by Dassault Systèmes , it relies on the Conductor-like Screening Model for Realistic Solvation (COSMO-RS) theory. Unlike traditional empirical models that require extensive laboratory testing data, COSMOtherm computes chemical potentials based on quantum chemical calculations.