Horst Vollhardt

TL;DR: In this article, real-time texture mapping capabilities of modern graphics workstations are explored with respect to their applications in a variety of relevant scenarios in interactive molecular modeling techniques, such as display and filter multichannel information of structural properties on molecular surfaces, improve the quality and accuracy of highly complex isodensity contours, increase the rendering speed of space-filling atomic representations by two orders of magnitude and apply volume-rendering techniques to large, three-dimensional density distributions in real time.

TL;DR: Visualization techniques in the field of molecular science as realized in the modeling package MOLCAD are described and some examples for the application are given.

TL;DR: It is shown that the transport of molecular models over the WWW using VRML is a very efficient and powerful method for the exchange of molecular information.

TL;DR: The molecular dynamics (MD) simulation method is one of the typical statistical mechanical computer simulation techniques employed in the theoretical study of many-particle systems as mentioned in this paper, which aims at reflecting the interaction within real systems in a mathematical model, and the time evolution of the particles is then numerically calculated using classical or quantum-mechanical methods.