title: Etomica: an object-oriented framework for molecular simulation.
abstract: We describe the design of an object-oriented library of software components that are suitable for constructing simulations of systems of interacting particles. The emphasis of the discussion is on the general design of the components and how they interact, and less on details of the programming interface or its implementation. Example code is provided as an aid to understanding object-oriented programming structures and to demonstrate how the framework is applied.
authors.affiliation: Department of Chemical and Biological Engineering, University at Buffalo, The State University of New York, Buffalo, New York.
authors.forename: Andrew J
authors.initials: AJ
authors.lastname: Schultz
authors.forename: David A
authors.initials: DA
authors.lastname: Kofke
keywords: Application Programming Interface (API); Java; etomica; molecular simulation; object oriented; software