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