Quantum Mechanic simulations are based on the calculation of the interaction of the electrons of a molecule.

This procedure is extremely computer time demanding and limited to systems of several hundreds of Atoms. However, this method is suitable to calculate chemical reactions. Commonly used applications of this method are the catalyst research, the development of new dyes as well as the calculation of chemical reactions of substrates in biomolecules.

Call us or send us an email if you want to know more about these innovative methods. Your partner at Krüss is Mrs. Christine Bilke-Krause.

Quantum Mechanic simulation of the complex between Ca2+ and sugar molecules