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Open Access

Making people's lives easier, better and more beautiful - and how computer-aided materials design may help

  • Thomas Kostka1
Journal of Cheminformatics20102(Suppl 1):O13

Published: 04 May 2010


Active IngredientQuantum ChemicalProduct DevelopmentMolecular ModelingConsumer Good

Computer-based simulations provide new insights at the molecular scale of chemical processes and material properties - new products may be developed more economically by a more focused strategy. Thus, the overall product development cycle for new materials and active ingredients can be reduced significantly.

R&D explores and evaluates continuously these possibilities and utilizes the enormous potential linked with scientific computing technologies. The method portfolio ranges from quantum chemical, molecular mechanics and mesoscopic simulations to QSAR approaches.

Examples will be given how scientific computing methods contribute to innovative products with state-of-the-art molecular modeling and mathematical methods - both, for consumer goods and industrial applications.

Authors’ Affiliations

Henkel AG & KGaA, Düsseldorf, Germany


© Thomas; licensee BioMed Central Ltd. 2010

This article is published under license to BioMed Central Ltd.