I completed my undergraduate degree in physics (MSci) at University College London in the summer of 2016. During my finale year I focused on condensed matter and quantum physics, studied a hematite-water interface system and worked on a method for reducing the computational cost of calculating the exact Hartree-Fock exchange force for hybrid functional Density Functional Theory. From October 2016 I have been studying at the Molecular Modelling and Materials Simulation (M3S) Doctoral Training Centre at UCL. My research is in part sponsored by EPSRC and Hamburg University, working with Prof. Roland Wiesendanger and Dr. Alexander Schwarz.
The overall aim of my research project is to understand how molecules with magnetic centres interact with bulk insulating surfaces. This would hopefully lead to understanding of how one can design molecules that enhance the magnetism of self-assembled molecular monolayers. Initially this project will be focussed on how both individual and many Co-Salen molecules adsorb and interact with a bulk NaCl surface. To study how individual molecules, interact with NaCl, Density Functional Theory will be used. However, to study multiple molecules and monolayer formation, DFT quickly becomes computational unfeasible. The plan is to use empirical force fields, to study this large scale behaviour. A force field does not exist for our system, therefore a genetic algorithm will be used to parameterise the force field. The experimental work will be carried out by Dr. Alexander Schwarz's group at Hamburg University, using Non-Contact AFM.
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