Research

Superconductors are very interesting to physicists as they conduct electricity with zero resistance and have other exotic properties from the formation of a macroscopic quantum state consisting of electrons that are bound together in such a way as to move like a group with no barriers to its flow. more

The Mystery of Iron Oxide shows the importance of studying iron in minerals using the latest methods that allow inclusion of temperature as well as pressure, opening up many avenues for further investigation more

The Mystery of Iron Oxide shows the importance of studying iron in minerals using the latest methods that allow inclusion of temperature as well as pressure, opening up many avenues for further investigation more

The Mystery of Iron Oxide shows the importance of studying iron in minerals using the latest methods that allow inclusion of temperature as well as pressure, opening up many avenues for further investigation more

The Mystery of Iron Oxide shows the importance of studying iron in minerals using the latest methods that allow inclusion of temperature as well as pressure, opening up many avenues for further investigation more

Many forefront technological materials have complex crystal structures, and solving the frontier problems requires the same methods as are used to study complex Earth materials. more

In addition to modelling crystalline Earth materials, we will study the effects of electronic transitions on iron in silicate melts. This requires doing computations on snapshots obtained from first-principles molecular dynamics (FPMD) based on DFT or DFT+U methods. This has already been shown tractable so we can even use snapshots from trajectories already produced and as correlated methods scale linearly with correlated ions per supercell, these calculations will also be tractable on large national parallel computers. more