PEOPLE

Dr Laura Ratcliff

Dr Laura Ratcliff
Department: Materials
Position: Research staff
Institution: Imperial College
Phone: 02075942854
Website: Website

Research Summary:

Our research centres around the development and application of new methods for simulating materials from first principles, i.e. without experimental input. This primarily involves methods based on density functional theory (DFT), including linear-scaling and multi-scale approaches aimed at simulating large systems containing thousands of atoms. We develop three DFT codes – BigDFT, ONETEP and MADNESS, and are also interested in new algorithms for more efficient use of supercomputers. These methods are applied to diverse materials ranging from molecular systems to nanostructures to solids. Current areas of application include point defects in extended systems, supramolecular ferroelectrics and disordered organic semiconductors for OLED applications.

Keywords:

Organic Electronics, Molecular Crystals, Core Level Spectroscopy, Nanotubes, Point Defects, Spectroscopy, Linear-Scaling DFT, Massively Parallel Computing, ONETEP, Wannier Functions

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