A molecular dynamics visualisation framework

In education, it is often difficult to explain scientific concepts without visualising them using some medium. An extensible and dynamic visualisation tool that provides a real-time simulation of such phenomenon would be a more suitable approach to teaching these concepts. This dissertation describes a Molecular Dynamics Visualisation Framework, which is a flexible and extensible framework supporting the creation and running of Molecular Dynamics simulations. It also allows tutors to compose simulation scenarios and execute them within an interactive simulation-visualization tool. The proposed system is designed using a multitude of design patterns to increase flexibility, extensibility and maintainability. We have shown the feasibility of the system by implementing a Lennard-Jones based Molecular Dynamics Simulation, allowing the student to view at runtime up to 1000 particles at a frame rate of 25 fps.

Grantor dc:publisher.institution

University of Malta

Year dc:date.issued

2008

• Molecular dynamics
• Computer vision
• Image processing
• Optical data processing

Statement dc:rights

• info:eu-repo/semantics/restrictedAccess

Language dc:language.iso

en

Repository record dc:identifier.uri

https://www.um.edu.mt/library/oar/handle/123456789/92790

OAI identifier oai:identifier

oai:www.um.edu.mt:123456789/92790