I’m Jordan Dorrell! I started my structure prediction career at the University of Reading during my MChem. Under the supervision of Livia Bartók-Pártay, I applied Nested Sampling to model P-T phase diagrams for small water clusters and for bulk lithium.
I subsequently went on to do my PhD at the University of Birmingham under the supervision of Andrew Morris where I applied DFT and ML models for structure prediction on inorganic functional materials. At Birmingham I was chiefly applying AIRSS for structure prediction but also implemented exhaustive searching and a bespoke sampling method.
I am now a PDRA at the University of Southampton under the supervision of Graeme Day. Here I apply quasi-random structure searching to predict molecular crystals. I have a particular focus on improving the efficiency of our searching methods and developing new methods for exploring high-G crystals. As part of the Day group, I am also a contributor to our open-source CSP package, mol-CSPy.
