Discovering New Ways of Designing Materials

We develop approaches and tools to investigate and elucidate peculiar new phenomena that arise from complex many-body effects in materials and molecules. Those phenomena arise in complex experiments, such as near zero temperature for superconductivity, or are part of our every day life, such as the binding of myoglobin to oxygen.

Scientific Collaborations

Our research activity involves numerous national and international collaborations. We are contributing to the development of the linear scaling density functional approach ONETEP, developed originally in Cambridge by Prof. Mike Payne in Cambridge. This collaborative effort involves D.O'Regan (Trinity College Dublin) , Daniel Cole (Yale), Nick Hine (Cambridge).

Finally, our research benefits from multiple synergies within the Theory and Simulation of Condensed Matter group (TSCM) at Kings , including Prof Mark van Schilfgaarde (DFT+GW), Dr Nicola Bonini (transport), Dr George Booth (Green's function Monte Carlo), Dr Chris Lorentz (protein modelling), Dr Carla Molteni (biological molecular functions), Dr Francesca Baletto (catalysis), and Prof Lev Kantorovich (non-equilibrium Green’s function formalism). The TSCM group at Kings offers the ideal scientific platform to support cutting edge developments in complex modelling.

Group Member List


Past members

Ongoing Projects

In our group, we focus at the moment on the following running projects:

A new efficient Quantum Monte Carlo solver for DMFT (C. Rhodes)

We are working at developping new Quantum Monte Carlo based approaches to solve the Hubbard or Anderson impurity models.

Self assembly of Kondo lattices (D. Blackbourn)

We develop efficient strategies to describe the self-assembly of atomic ordered structure of heavy elements on metallic surfaces.

Topological insulators (E. Plekhanov)

Topological insulators have attracted a widespread interest recently, due to their promising properties. We investigate the role of disorder in these systems.

DMFT and the equation of state (E. Sheridan)

We develop a new approach to compute the equation of state of correlated materials. In particular, we apply our method to the volume collapse of cerium.

Tailoring the magnetic relaxation of correlated nano-particles for medical imaging applications (C. Lupo)

We investigate the role of many body effects in iron oxide nanoparticles, with the aim of tailoring their properties for medical imaging applications.