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CIC07_Master_Currents in radiation damage processes

High-energy ions shooting through matter can produce different kinds of damage. Understanding such processes is of great importance in different contexts, from the aerospace industry to the cancer treatment with ions. We have a long standing research line on electronic excitation effects in such processes, which are non-adiabatic in nature, and therefore quite different from most studied processes in other contexts. In this project we will focus on the electronic current effects: the ions give rise to currents which influence the later processes. These currents have been largely ignored in the past, but should give rise to very useful insights in the fundamentals of the response to irradiation of matter. They will be studied with a variant of the Siesta program, which encodes methods for the first-principles simulation of condensed matter, based on quantum mechanics and fundamentals of condensed matter theory. The particular variant involved the numerical solution to an equivalent of the time-dependent Schrödinger equation.

The project will involve method development, programming and running of the program on platforms with many thousands of processors. The project is suited for a person with a background in physics or theoretical chemistry., and with knowledge and/or interest in computing and programming in a scientific research context.

More information about the Theory group.


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