José María Escartín
My research involves the study of a variety of many-body quantum systems, mostly displaying electronic degrees of freedom, using a number of techniques and numerical methods.
At the moment, I am interested in the study from first principles of doped semiconductor nanocrystals. In order to accurately describe these systems, which may have thousands of atoms, we use and develop ONETEP, a linear-scaling code for quantum-mechanical calculations based on density-functional theory. During my appointment I will work on both methodological and computational developments of ONETEP, mainly and respectively the inclusion of spin-orbit effects and the porting of the code to general-purpose graphical processing units.
Besides, I am collaborating with my previous research group on the first implementation of Time-Dependent Current-Density Functional Theory (TDCDFT) in real time and three spatial dimensions.
Contact detailsMott Building, Cavendish Laboratory
Email: add jme52 in front of @cam.ac.uk
Phone: +44 (0)1223 337278