Hannah Jemi Patel

Systems Approaches to Biomedical Science CDT

Education and Background

First Class Masters of Chemistry degree from Durham University, June 2014.

Master's Project

I completed a computational project as part of my Masters predicting Feshbach resonances of ultracold collisions between potassium and cesium atoms. This involved the use of two computer programmes developed by Jeremy Hutson’s research group: MOLSCAT for calculating scattering lengths, and BOUND for calculating the bound states. Overall both s-wave and d-wave Feshbach resonances were identified for collisions between three potassium isotopes and themselves, and between these isotopes and cesium. The bound states plots were then analysed in conjunction with the identified resonances to conclude that all three potassium isotopes could potentially be used to experimentally produce ultracold KCs.These results have recently been published, and there is a link to the paper below.

Atomic Simulation Project

I was first involved in theoretical research through a “mini-project” studying chromonic liquid crystals. This molecular modelling work involved computationally simulating aqueous solutions of the liquid crystals to study the phases formed. The computational method involved three steps: creating the chromonic mesogen using the Scigress Package; creating a force-field for the molecule using the AmberTools Package, and solvating the mesogen within a periodic boundary box using the Gromacs package. I then ran molecular simulations of different concentrations of mesogen, and found the liquid crystals formed stacks of a helical chiral structure.

Interests

Academic Interests

  • Computational Chemistry
  • Molecular Dynamics

Non-Academic Interests

  • Rowing
  • Triathlon
  • Watching Made in Chelsea