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

œSimulation of electronic, magnetic and optical properties of solids
œQuantum applications in materials research
œSimulation of structures and properties of inorganic materials
œDesign of catalysts with high selectivity and of high performance polymer materials
œMolecular recognition mechanism of organic molecules
œMolecular design of super-enzymes on the basis of their tertiary structures and genetic analysis
œDrug design