Symrise Gmbh & Co Kg

Dassault Systemes Americas Corp.

Andreas Klamt

Steffen Sonnenberg

Anja Finke

John Lohrenz

Thorsten B&uuml;rger

Svend Matthiesen

A method for simulation, in particular for computerized calculation, of at least one physical property of a system of one or more chemical species that includes at least one chemical species dissolved in at least one inhomogeneously distributed chemical species, using a quasi-chemical calculation based on the statistical thermodynamics of pairwise interactions of molecule surface segments. According to the invention, pressure, that arises from the statistical thermodynamic over- or underpopulation of spatial regions, interacts as an additional continuum response function with the atomic volumes and thus influences the thermodynamic weight of a molecular state in the system, during the iterative calculation of the statistical thermodynamic distribution of molecules in 1-dimensionally, 2-dimensionally, or 3-dimensionally structured simulation volumes of liquid systems.

Cosmoplex: self-consistent simulation of self-organizing systems

A mathematical determination model is used to select odorants for products to be perfumed and for the preparation.

Selection method for odorants

Growing community of inventors

Leverkusen, Germany

Andreas Klamt