Tag Archives: Jmol

Video: Under the Hood of Molecular Workbench

It takes a lot of computation to model the atomic and molecular world! Fortunately, modern Web browsers have 10 times the computational capacity and speed compared with just 18 months ago. (That’s even faster than Moore’s Law!) We’re now taking advantage of HTML5 plus JavaScript to rebuild Molecular Workbench models to run on anything with a modern Web browser, including tablets and smartphones.

Director of Technology Stephen Bannasch describes the complex algorithms that he’s been programming behind the scenes to get virtual atoms to behave like real atoms, forming gases, liquids and solids while you manipulate temperature and the attractive forces between atoms. See salt crystallize and explore how the intermolecular attractions affect melting and boiling points. Imagine what chemistry class would have been like (or could be like today) if the foundation of your chemical knowledge started here.

Technology and Curriculum Developer Dan Damelin goes on to describe how open source programming opens up possibilities. For instance, Jmol is a Java-based 3D viewer for chemical structures that we were able to incorporate into Molecular Workbench to allow people to easily build activities around manipulation of large and small molecules, and to make connections between static 3D representations and the dynamic models of how molecules interact. We’re planning to build a chemical structure viewer that won’t require Java and will extend another open source project based on JavaScript and WebGL to visualize molecules in a browser.

Interested in this innovative programming? Great! We’re looking for software developers.