Computer System for Nanoprocess Technology


Computer-aided molecular design techniques are an indispensable tool for understanding, predicting, verifying and designing novel molecular structures. Only by combining modern fabrication and synthesization techniques with computational chemistry tools one can hope to control and develop next-generation super functional materials and aggregates.

Several high-end graphics workstations and state-of-the-art chemistry design tools are available to develop novel inorganic or organic materials and help in areas such as structural analysis and molecular design.



Research Topics

Simulation of electronic, magnetic and optical properties of solids
Quantum applications in materials research
Simulation of structures and properties of inorganic materials
Design of catalysts with high selectivity and of high performance polymer materials
Molecular recognition mechanism of organic molecules
Molecular design of super-enzymes on the basis of their tertiary structures and genetic analysis
Drug design