Molecular dynamics simulation on iOS platform

Deni Bačić (2014) Molecular dynamics simulation on iOS platform. EngD thesis.

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Abstract

This thesis deals with the development of applications for simulation of molecular dynamics on the iOS platform with use of Sprite Kit library. The use of mobile devices for such challenges makes sense from the standpoint of accessibility and energy saving. In modern theoretical chemistry, problems are solved on large supercomputers. The vast majority of todays problems is based on basic molecular dynamics, which is the subject of this thesis. In addition to the theory of molecular dynamics, the thesis deals with the problems and challenges of development for the iOS platform, used tools and the new library for graphical applications called Sprite Kit. The result of this work is a prototype application, which simulates 2d molecular dynamics of Lennard-Jones particles according to the laws of physics, where all of the calculations and display are carried out on a mobile device. In addition to the simulation, all of the approaches are explained inside of the application. That gives user direct insight into the dynamics and better understanding of the problem.

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