This project seeks to develop these techniques for molecular simulations of liquid and solid states using parallel computational techniques. The developed algorithms will be used on supercomputers and cluster based platforms.
One of the challenges faced in computational nanotechnology is the immense computational power needed to simulate systems at atomic and molecular level. Even a small sample of materials few nanometers thick contain many thousand atoms. So calculation of the properties and simulation of mater at such a scale require developing novel computational techniques to enhance the efficiency and allow for larger systems to be simulated for longer time spans.
The opportunity ID for this research opportunity is 384