(19f) Molecular Modeling Task Force Update | AIChE

(19f) Molecular Modeling Task Force Update

Authors 

Kofke, D. A. - Presenter, University of Buffalo


We review recent activities of the CAChE Molecular Modeling Task Force. One such activity is the development of interactive molecular simulation modules for instructional purposes, and we review the project and discuss some of the recently completed modules as well as others still under development. We also describe an effort to develop a molecular simulation Application Programming Interface that can be used to facilitate interoperability of different molecular simulation code bases.