Category Archives: Data analysis

Molecular dynamics computer simulations of yttria-stabilized zirconia

Computer simulations on an atomic or molecular scale give a direct link between the microscopic details of a system (atomic masses, molecular geometry, etc.) on the one hand, and macroscopic properties that are of experimental interest (energies, transport coefficients etc.) on the other. By comparing the outcome of the simulation with experimental results, understanding can […]

Data reduction: between measuring and knowing

Modern analysis instruments provide a deluge of measurement data. Automatic data processing is necessary to obtain relevant information. But: what is smart software that filters the data stream on important information and how can this properly be visualised? A short course in data reduction for the laboratory. Many analysis techniques in the chemical laboratory have […]