The performance of computers and software has increased dramatically in recent years, thus, allowing the modelling of high-molecular systems and chemical, physical or biological processes of previously unattained complexity.
Large corporations can perform their research and development activities with maximum efficiency by using own quantum chemistry facilities for reliable predictions of molecular properties in conjunction with high computing power. But small and medium enterprises often can’t afford such an expensive quantum chemistry infrastructure.
With regard to high risk or very elaborate and expensive research such powerful and robust modelling of molecule and material properties is now made available by a German company to small and medium enterprises without own quantum chemistry facilities. This company is providing computing power and software algorithms at quantum chemical scale for effective computing and prediction of properties and reaction parameters of highly complex molecular systems as well as solid state materials.
These predictable properties include e.g. geometries, various energies and thermodynamic, kinetic, spectroscopic and electrochemical properties on molecular and material level, hence also including e.g. charge carrier mobility, tribological properties, mechanical and optical properties etc.
The proposed quantum chemical property modelling and prediction applies to a variety of systems (organics, inorganics, bio-molecules, metal complexes, interfacial areas, large complex heterogenous systems), to properties (geometries, mechanics, thermodynamics, kinetics, electronics/electro-chemistry, photonics, spectroscopy, fluorescence) and to processes (synthesis catalysis, photo reactions, degradation).
The proposed modelling service has large application potential in the development of new chemical, paint, lacquer, pharmaceutical, adhesive, plastics/polymer or solvent products, in surface treatment, nano-coating, optics and many more fields, where large time and resource consuming test series are necessary to obtain the desired final molecular structure and thus, the targeted chemical, mechanical or physical parameters.
The German company would like to offer its high-performance modelling and prediction expertise and facility as a service to small and medium enterprises based on a technical cooperation or commercial agreement with technical assistance.