The successful candidate will join a multidisciplinary
team working on using self-assembled peptide
nanostructures to build sustainable light-harvesting
devices. In particular, they will exploit theory and
simulations to interpret the experimental results
obtained by the other research partners. We will
develop a multiscale coarse-grained model to follow
the assembly of up to ten thousand molecules,
reaching at least tens of nanometers length scales
and microsecond time scales. We plan to base the
numerical model on the hybrid-resolution PACE
model of Xiong et al (Q. Xiong et al., ACS Nano 13,
4455 (2019)), with the molecular dynamics
simulations being carried out with the GROMACS or
LAMMPS packages.