- Email: firstname.lastname@example.org
- Thesis title: Computational modelling and atomistic simulation of renal calculi (kidney stone) formation and composition
- Supervisors: Dr James Smith, Dr Helen Chappell, Dr Andrew Scott, Dr Antonia Borissova Dimitrova
I am a PhD researcher using computational chemistry, specifically ab initio molecular dynamics, to model the crystallisation of kidney stones. I completed my MChem at Cardiff University, with a Year Abroad at the University of Wollongong, Australia. During my year abroad, I undertook a research project investigating the efficacy of Apium graveolens (celery) as a component in an electrical circuit. My work focused on the electrical characterization using electrochemical impedance data. At Cardiff, my masters project focused on developing a novel method for crystal structure prediction, of dense and porous carbon allotropes, using ab initio molecular dynamics.
Kidney stones are a common ailment, effecting around 10% of the world population and the key chemical interactions relating to its crystallization are not fully understood. Moreover, kidney stones are often found complexed to organic matrices, such as proteins, and the fundamental chemistry underlying this observation is unknown. In my research I hope to use first principles modelling to elucidate the crystallization phenomena, and unravel the prevalent chemistry behind stone composition, focusing on organic-inorganic interfacial interactions. To, in a future sense, offer potential strategies for drug development and stone prevention.
- MChem Chemistry with Year Abroad (2:1, Hons)