Mario Valle Web

Beyond Ball-and-Stick – in search of the perfect visualization tool

Talk initially delivered at the Max-Planck-Institut für Chemische Physik fester Stoffe (Dresden) on March 11, 2005

Scientific visualization could be a powerful help to researchers for “seen the unseen” and communicating it, for analyzing and exploring data and presenting the results found.

Unfortunately in various areas of the chemistry domain, visualization usage has been restricted only to the production of molecular models for presentation and movies creation.

But is it possible to find tools and techniques that support also the exploratory phase in the molecular dynamics, crystallographic and material science areas? Examples from the Swiss National Supercomputing Centre visualization group work with its chemistry users and ideas collected from current visualization research show that will be possible to move in the direction of better, if not perfect, visualization tools.