Juho is a graduate student in the group working on coarse-graining.
Juho has developed a new coarse-grained anistropic potential that can be used in molecular dynamics (MD), Monte Carlo (MC) and dissipative particle dynamics (DPD). His new potential shows liquid crystal phases and, crucially, allows particles to be linked together to enable the simulation of complex liquid crystalline macromolecules and dendrimers, and the simulation of complex phases formed by polyphilic molecules.
Within Juho’s model we are able to see the coupling of intra and inter molecular degrees of freedom; that occurs when polyphilic molecules self-assemble to form a liquid crystal. This provides the exciting possibility of using this type of model to guide the design of new polyphilic molecules with desired self assembly properties.
Juho’s work is sponsored by the UK research council EPSRC through a DTA award together with other funding through my group.