You are here

CIC07_Master_Basis sets for SIESTA

The theory and simulation lines started in September 2011, and is lead by Emilio Artacho, coming from the University of Cambridge. He is considering candidates for a Master’s project in the generation and characterisation of basis functions for SIESTA. SIESTA is a method and program that allows the computer simulation of materials, liquids, nanostructures, biomolecules, etc. from first-principles, meaning from quantum mechanics. It is used by thousands of scientists across the world, and it was originated and is maintained by a small group of scientists including Artacho. Obtaining and characterising good basis functions is of great importance for the better use of the methods in all those systems: it directly impinges on optimising the relation of accuracy and efficiency.

The work will include theoretical simulations in high-performance computers, and will be suitable for  condensed matter/solid state physics or theoretical chemistry graduates, with good knowledge of English and programming, and interest in computing.

More information: Theory Group


We use third party cookies to improve our services and tailor the website to your surfing habits. By continuing to browse the site, you are agreeing to our use of cookies policy. Further information on the use of cookies.