Development of a Webbased Database for Managing Simulation Data of Quantum Mechanical Simulations in Theoretical Chemistry
The Institute of Theoretical Chemistry is calculating various simulations which are based on quantum mechanic laws and try to reproduce parts of the real world on the computer. These simulations produce a huge amount of data which is stored centrally after their calculation has completed. The according metadata is currently managed by hand.
The aim of this bacholer thesis is to develop a webbased tool to store and manage this metadata, which will be used internally in the Institute of Theoretical Chemistry and should replace the management by hand.